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Journal articles on the topic 'Ground and excited state dipole moments'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

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1

Ogunsipe, Abimbola. "A semi-empirical estimation of ground and excited state dipole moments of zinc phthalocyanine from solvatochromic shift data." International Journal of Advanced Chemistry 6, no. 2 (2018): 190. http://dx.doi.org/10.14419/ijac.v6i2.11019.

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A semi-empirical determination of ground and excited state dipole moments of zinc phthalocyanine (ZnPc) from solvatochromic shifts is hereby presented. The ratio of the excited- and ground-state dipole moments of ZnPc ( ) was estimated by a combination of the Bakshiev and the Kawski-Chamma-Viallet’s equations, while the difference in the excited- and ground-state dipole moments (Dm) was estimated usingthe molecular-microscopic solvent polarity parameters ( ), alongside the Stokes’ shifts (Dῡ) in the various solvents. The dipole moment of ZnPc is significantly higher in the excited singlet stat

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2

Párkányi, Cyril, Christian Boniface, Jean-Jacques Aaron, Mihaela Bulaceanu-MacNair, and Marwan Dakkouri. "Theoretical and Experimental Dipole Moments of Purines." Collection of Czechoslovak Chemical Communications 67, no. 8 (2002): 1109–24. http://dx.doi.org/10.1135/cccc20021109.

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As a follow-up on our previous study of a series of purines (purine, 6-chloropurine, purine-6-thiol, hypoxanthine, theobromine, theophylline, caffeine, and uric acid), we have investigated six additional biologically important purines (adenine, guanine, isoguanine, thioguanine, xanthine, and kinetin). Their ground-state dipole moments were measured in dioxane at 293 K. The first excited singlet-state dipole moments were obtained using the solvatochromic shift equations (McRae, Suppan, Bakhshiev, and Kawski-Chamma-Viallet). The theoretical dipole moments were calculated as a combination of the

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3

Hirematada, Darukaswamy Tulahalli, Mallikarjun Kalagouda Patil, Sanjeev Ramchandra Inamdar, and Kotresh Mare Goudar. "Exploring solvatochromism in Nile Blue 690 dye: Evaluating dipole moments across the ground and excited states." European Journal of Chemistry 15, no. 2 (2024): 178–85. http://dx.doi.org/10.5155/eurjchem.15.2.178-185.2533.

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This study investigates the photophysical properties of Nile Blue 690 (NB-690) dye using spectroscopic techniques. Absorption and fluorescence spectroscopy were used to analyze NB-690, revealing pronounced bathochromic shifts in both absorption and fluorescence spectra, indicative of the π → π* transition. The study focuses on estimating ground- and excited-state dipole moments of NB-690 through solvatochromic shifts in absorption and fluorescence spectra. Various computational methods, including the Bilot-Kawski approach for ground state dipole moment computation, and the Reichardt correlatio

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4

Edwin Otieno Akumu. "Effects of solvent polarity on the absorption and fluorescence spectra of 3-cyano-7-hydroxy-4-methylcoumarin." Kabarak Journal of Research & Innovation 8, no. 1 (2019): 65–71. http://dx.doi.org/10.58216/kjri.v8i1.120.

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The Absorption and fluorescence emission spectra of 3-cyano-7-hydroxy-4-methylcoumarin (3C7H4M) were studied in solvents of different dielectric constant Îµ and refractive index n. Experimental ground and excited state dipole moments were established by means of solvatochromic shift method. Both the ground state and excited state dipole moments were established. Results revealed that the excited state dipole moments of 3C7H4M were higher than those of the ground state. Further it is evident from these results that, the changes in the dipole moments on electronic excitation are small.

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5

Gebreyohanes, Ataklti Abraha, Abebe Belay, and Getachew Alemu. "Effect of Solvent Polarity on the Absorption and Fluorescence Spectra of Nicotinamide: Determination of Ground and Excited State Dipole Moments." East European Journal of Physics, no. 4 (December 6, 2022): 190–99. http://dx.doi.org/10.26565/2312-4334-2022-4-20.

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Nicotinamide (NIC) is an amide-form vitamin with a carboxamide group at b positions that is involved in a variety of biological activities. The drugs contain functional groups which control the type and degree of interaction with different solvents. In this research, the ground and excited state dipole moments of nicotinamide (NIC) were estimated using solvatochromic effects and computational work. A general overview of solvent effects on the electronic absorption and fluorescence spectra of NIC is presented. In both spectra, pronounced solvatochromic effects were observed, and the shift of em

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6

Rayanal, Manjula, Prasad Pralhad Pujar, and Sridhar D. "Studies on Photophysical Properties of Mono-carbonyl Curcumin Analogues: Experimental and Theoretical approach." Oriental Journal of Chemistry 34, no. 4 (2018): 2170–79. http://dx.doi.org/10.13005/ojc/3404059.

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The solvatochromic fluorescence behaviour of mono-carbonyl curcumin analogues has been studied in ten different solvents ranging from non-polar to polar. The solvent effect on the spectral properties of analogues has been discussed. The ground state dipole moments were estimated experimentally by Bilot-Kawski equation which is a function of Stokes shift with the solvent polarity parameters and Guggenheim method and theoretically by TD-DFT studies. The excited state dipole moment was determined using Bilot-Kawski equations. The excited state dipole moments for the two molecules were found to be

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7

Kawski, A. "Ground-and Excited-State Dipole Moments of 6-Propionyl-2-(dimethylamino)naphthalene Determined from Solvatochromic Shifts." Zeitschrift für Naturforschung A 54, no. 6-7 (1999): 379–81. http://dx.doi.org/10.1515/zna-1999-6-706.

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Abstract The dipole moments in the ground-and excited-state of the fluorescence probe 6-propionyl-2-(dim-ethylamino)naphthalene (PRODAN) are determined from solvatochromic shifts to μe = 2.1 D and μg = 6.4 D. These values concern the free molecule. In the first excited singlet state the dipole moment is only 3 times greater than in the ground state.

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8

Woldegiorges, Kinfe, Abebe Belay, Alemu Kebede, and Tamirat Abebe. "Estimating the Ground and Excited State Dipole Moments of Levofloxacin and Norfloxacin Drugs Using Solvatochromic Effects and Computational Work." Journal of Spectroscopy 2021 (December 10, 2021): 1–13. http://dx.doi.org/10.1155/2021/7214182.

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Levofloxacin (LVF) and norfloxacin (NRF) are a group of fluoroquinolone antibiotics, broad spectrum used to treat various infections caused by many bacterial species. The drugs contain functional groups which control the type and degree of interaction with different solvents. In this research, the ground and excited state dipole moments of LVF and NRF drugs were estimated using solvatochromic effects and computational work. The dipole moments were estimated from absorption and emission spectra in polar and nonpolar solvents using Bakhshiev’s, Kawski–Chamma–Viallet, Lippert–Mataga, and Reichard

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9

J, Thipperudrappa. "Study of Solvent Effect in 2, 5-DPAPMC Dye Using Different Solvent Polarity Parameters and Estimation of Dipole Moments." Mapana - Journal of Sciences 13, no. 1 (2017): 101–17. http://dx.doi.org/10.12723/mjs.28.7.

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The solvent effect on absorption and fluorescence spectra of a ketocyanine dye 2,5-di[(E)-1-(4- dipropylaminophenyl) methylidine]-1-cyclopentanone (2,5-DPAPMC) is analysed using Lippert-Mataga bulk polarity function, Reichardt’s microscopic solvent polarity parameter and Kamlet’s multipl e linear regression approach. The spectral properties better follows Reichardt’s microscopic solvent polarity parameter than Lippert-Mataga bulk polarity parameter. This indicates the presence of both general solute – solvent interactions and specific interactions. Kamlet’s multiple linear regression approach

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10

Pujari, Vikram, Mallikarjun K. Patil, T. S. Tilakraj, Vighneshwar S. Bhat, and Sanjeev R. Inamdar. "Photophysical Properties of Rhodamine Dyes in Aqueous Organic Solvents: Evaluation of Ground and Excited State Dipole moments." IOP Conference Series: Materials Science and Engineering 1221, no. 1 (2022): 012012. http://dx.doi.org/10.1088/1757-899x/1221/1/012012.

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Abstract In this present work, we have determined the ground and excited state dipole moments of two Rhodamine dyes with similar molecular skeleton and having different functional groups, namely Rhodamine 560 chloride (R560) and Rhodamine 610 Chloride (R610). Absorption and emission spectra of R560 and R610 were recorded in binary mixtures of DMSO-Water and 2 Propanol-Water at varying compositions. The two probes exhibit hypochromic / bathochromic shift in absorption and fluorescence spectra for different compositions of aqueous organic solvents. This shift arises mainly because of polarity of

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11

Nagaraja, D., H. S. Geethanjali, N. R. Patil, F. M. Sanningannavar, R. A. Kusanur, and R. M. Melavanki. "Solvent Effect on the Fluorescence Properties of Two Biologically Active Thiophene Carboxamido Molecules." Mapana - Journal of Sciences 12, no. 1 (2013): 49–68. http://dx.doi.org/10.12723/mjs.24.6.

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The absorption and fluorescence spectra of two thiophene carboxamido molecules namely 2–( - trimethoxy phenyl) imino–3–N–ethylcarboxamido–4, 5, tetramethylene thiophene (X) and 2-( -N, N-dimethylaminophenyl) imino-3-(N- methylphenyl carboxamido)-4, 5, tetramethylene thiophene (Y) have been recorded at room temperature. The ground (mg) and excited (me) state dipole moments are estimated from Lippert, Bakhshiev, Kawski-Chamma-Viallet equations by using the variation of Stokes shift with microscopic solvent dielectric constant (e) and refractive index (n). The excited dipole moments were also est

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12

Sinha, Hemant K., and Keith Yates. "On the ground and excited state dipole moments of planar vs. twisted nitroaniline analogues." Canadian Journal of Chemistry 69, no. 3 (1991): 550–57. http://dx.doi.org/10.1139/v91-083.

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Planar and conformationally twisted p-nitroaniline (PNA) and N,N-dimethyl-p-nitroaniline (DMPNA) systems have been subjected to electric field study (electrochromism) to understand their charge transfer characteristics in the ground and excited states. The observed values of ground and excited state dipole moments suggest that twisting of either the donor (D) with respect to the acceptor (A) or vice versa can have a large impact on the resultant charge distribution, particularly on the excited state charge distribution. These observations remarkably support the TICT hypothesis and minimum over

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13

Ingalagondi, P. K., Omanath Patil, Sanjeev R. Inamdar, Talari Sankarappa, and S. M. Hanagodimath. "Synthesis and Photoluminescence Properties of Aryloxymethyl Coumarin Dyes: An Experimental and Computational Study." Key Engineering Materials 962 (October 12, 2023): 65–77. http://dx.doi.org/10.4028/p-qfzzt2.

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Here in, we report the synthesis and effect of solvents on photoluminescence properties of 1-(2-Methoxy-phenoxymethyl)-benzo[f]chromen-3-one (2-MPBC) and 1-(3-Methoxy-phenoxymethyl)–benzo[f]chromen-3-one (3-MPBC) molecules through Pechmann cyclisation method. The optical properties of coumarins are studied by employing a various solvents with different polarity and refractive index. The values of ground state dipole moment is 0.71D and 0.49D for 2-MPBC and 3-MPBC respectively. It is found that the ground state dipole moments (μg) comparatively smaller than excited state dipole moments (μe) for

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14

Patil, Mallikarjun Kalagouda, Mare Goudar Kotresh, Tarimakki Shankar Tilakraj, and Sanjeev Ramchandra Inamdar. "Solvatochromism and ZINDO-IEFPCM solvation study on NHS ester activated AF514 and AF532 dyes: Evaluation of the dipole moments." European Journal of Chemistry 13, no. 1 (2022): 8–19. http://dx.doi.org/10.5155/eurjchem.13.1.8-19.2123.

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In this study, the solvatochromic effect on the photophysical properties of Alexa Fluor 514 (AF514) and Alexa Fluor 532 (AF532) fluorescent dyes is examined experimentally and computationally. To explore the solvatochromism and dipole moments, the steady-state absorption and fluorescence spectra of the dyes were measured in a series of organic solvents. Various solvent correlation models, like Bilot-Kawski, Lippert-Mataga, Bakhshiev, Kawski-Chamma-Viallet, and Reichardt microscopic solvent polarity parameters, were adapted to determine the dipole moments in their ground and excited states. For

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15

Devar, Sulochana, Vijayalaxmi Gangadharmath, N. G. Yernale, B. S. Mathada, Omnath Patil, and S. M. Hanagodimath. "Evaluation of dipole moments of indole derivative (5-MPIC) by Solvatochromic shift method." IOP Conference Series: Materials Science and Engineering 1272, no. 1 (2022): 012028. http://dx.doi.org/10.1088/1757-899x/1272/1/012028.

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The Solvatochromic technique was used to examine the solvent effects of ethyl 5-methyl-3 phenyl-1H-indole 2-carboxylate [5-MPIC]. Different solvents were used to record 5-MPIC’s absorption and emission spectra at room temperature (300 K). The ground state and excited state dipole moments were estimated experimentally using Lippert’s, Bakshiev’s and Kawaski Chamma Viallet’s equations. The HOMO-LUMO gap and MEP map were also estimated theoretically by using B3LYP/6-31+G (d, p) basis set of Gaussian 16 w program. Dipole moments of excited states reveal a clear polarity difference between the grou

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16

Lalasangi, Dayanand, S. M. Hanagodimath, Mangesh S. Jadhav, Tairabi Khanadal, and Basavaraj Padmashali. "Estimation of Ground State and Excited State Dipole Moments of (5-Amino-1-phenylindolizin-3-yl)(4-methoxyphenyl)methanone." Asian Journal of Chemistry 36, no. 8 (2024): 1747–53. http://dx.doi.org/10.14233/ajchem.2024.31661.

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The fluorescence and absorption properties of (5-amino-1-phenylindolizin-3-yl)(4-methoxyphenyl)methanone were studied at room temperature in 15 solvents with dissimilar polarities. The impacts of solvent and GCRD parameters on the properties of the spectra are discussed. By utilizing the Gaussian 09 program, the ground-state dipole moments (µg) were have been measured experimentally and compared with theoretical values. After determining the ground-state dipole moments, the Kawski-Chamma-Viallet, Bakhshiev and Lippert equations were utilized to calculate the exciterted-state dipole moments (µe

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17

Ajitha, Devarajan, Kimihiko Hirao, and Sourav Pal. "Energies and Dipole Moments of Excited States of Ozone and Ozone Radical Cation Using Fock Space Multireference Coupled-Cluster Analytical Response Approach." Collection of Czechoslovak Chemical Communications 68, no. 1 (2003): 47–60. http://dx.doi.org/10.1135/cccc20030047.

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Using the Fock space multireference coupled-cluster (FS-MRCC) analytical linear response approach, we report the dipole moments of low-lying singlet and triplet excited states of ozone. The low-lying singlet and triplet excited states are calculated at the ground-state geometry and at the adiabatic geometry for the 1A2 and 1B1. For comparison we also calculate at the ground-state geometry the dipole moments of the 1A2, 1B1 and 1B2 using multireference configuration interaction (MRCI) with a bigger VQZ basis and complete active space. We also report as by-product the excitation energy values in

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18

Loukova, Galina V., Alexey A. Milov, Vladimir P. Vasiliev, and Vladimir I. Minkin. "Dipole moments and solvatochromism of metal complexes: principle photophysical and theoretical approach." Physical Chemistry Chemical Physics 18, no. 27 (2016): 17822–26. http://dx.doi.org/10.1039/c6cp03348b.

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19

Aaron, J. J., M. D. Gaye, C. Párkányi, et al. "Solvent Effects upon the Electronic Absorption and Fluorescence Spectra of Pteridines and Riboflavin and Their Ground and First Excited Singlet State Dipole Moments." Pteridines 3, no. 3 (1991): 153–63. http://dx.doi.org/10.1515/pteridines.1991.3.3.153.

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The electronic absorption. fluorescence excitation, and fluorescence emission spectra of a series of pteridines (lumazine, xanthopterin, isoxanthopterin, biopterin) and riboflavin (vitamin B2) were measured at room temperature (298 K) in a number of solvents covering a wide range of polarities (dioxane, ethyl ether, chloroform, ethyl acetate, 1-butanol. 2-propanol, ethanol, methanol, dimethylformamide, acetonitrile, and dimethyl sulfoxide). The effects of the solvent upon the spectral properties are discussed. Experimental groundstate dipole moments were measured for selected compounds and wer

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20

Sinha, Hemant K., S. Muralidharan, and Keith Yates. "Ground and excited state dipole moments of planar vs. twisted p-N,N-(dimethylamino)benzonitrile systems: maximum charge transfer for minimum overlap." Canadian Journal of Chemistry 70, no. 7 (1992): 1932–38. http://dx.doi.org/10.1139/v92-242.

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Electric field induced change in the absorption spectrum (electrochromism) has been employed to obtain the ground and excited state dipole moments of planar and sterically hindered (twisted) p-N,N-(dimethylamino)benzonitriles in dioxane solution. These studies support the twisted intramolecular charge transfer (TICT) hypothesis and provide additional insight to the TICT concept. The charge transfer nature of the excited state has been found to directly depend on the torsional angle of the N,N-dimethylamino group with respect to the benzonitrile moiety. It is suggested that solvent coupling is

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21

Joshi, S. "Solvatochromic Study of Supramolecular Amphiphile Based on Calix[4]arene Connected to a Fluorescent Benzofurazan Moiety at Lower Rim: Evaluation of Ground and Excited State Dipole Moments-=SUP=-*-=/SUP=-." Журнал технической физики 128, no. 12 (2020): 1864. http://dx.doi.org/10.21883/os.2020.12.50322.1028-20.

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Photophysical properties of a supramolecular amphiphile of calix[4]arene having benzofurazan moiety at the lower rim, L has been studied. Electronic absorption and fluorescence spectra of L have been recorded in wide range of solvents of different polarities and data were used to study solvatochromic properties. The ground state and the excited state dipole moment of L were estimated from the Bakhshiev's and Bilot-Kawaski's equations. High value of dipole moment is observed for excited state as compared to ground state value and this is attributed to more polar excited state of molecule. Also,

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22

Raikar, U. S., V. B. Tangod, S. R. Mannopantar, and B. M. Mastiholi. "Ground and excited state dipole moments of coumarin 337 laser dye." Optics Communications 283, no. 21 (2010): 4289–92. http://dx.doi.org/10.1016/j.optcom.2010.06.037.

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23

Kawski, A., B. Kukliński, P. Bojarski, and H. Diehl. "Ground and Excited State Dipole Moments of LAURDAN Determined from Solvatochromic and Thermochromic Shifts of Absorption and Fluorescence Spectra." Zeitschrift für Naturforschung A 55, no. 9-10 (2000): 817–22. http://dx.doi.org/10.1515/zna-2000-9-1011.

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Abstract The electric dipole moments in the ground /µg and excited state of the fluorescent probe LAUR-DAN are determined from solvatochromic and thermochromic shifts to be /µg = 3.46 D, µe = 10.6 D and /µg = 3.76 D, /µe = 10.24 D, respectively. These values concern the free LAURDAN molecule. The val-ues of the dipole moments of LAURDAN (= 6-decanoyl-2-dimethylamine-naphthalene) exceed dis-tinctly those of PRODAN (= 6-propionyl-2-dimethylamine-naphthalene).

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24

Zhu, Chun, Jia-Meng Du, Jin-Chen Zhao, Tuo Zhu, and Guo-Qing Chen. "Molecular and structural characterization of New Red and Erythrosine by fluorescence polarization spectroscopy." Modern Physics Letters B 31, no. 19-21 (2017): 1740062. http://dx.doi.org/10.1142/s0217984917400620.

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The fundamental and the fluorescence anisotropies of New Red and Erythrosine were measured. The intersection angles between the absorption and the emission dipole moments for New Red and Erythrosine are 4.44[Formula: see text] and 23.26[Formula: see text], respectively. The average angle shift of the emission dipole moment of New Red is 3.91[Formula: see text] during the lifetime of the excited state. This indicates that it has a bifurcated linear structure with weak rotational capacity. The average angle shift of the emission dipole moment of Erythrosine is 9.25[Formula: see text], indicating

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25

Patil, Omnath, P. K. Ingalagondi, Shivaraj Gounhalli, and S. M. Hanagodimath. "Dipole moments and quenching of fluorescence of a new coumarin dye." Canadian Journal of Physics 98, no. 8 (2020): 761–69. http://dx.doi.org/10.1139/cjp-2019-0517.

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The absorption and fluorescence emission spectra of a newly synthesized laser grade coumarin dye, 1-((4-methoxyphenoxy) methyl)-3H-benzo[f]chromen-3-one (4-MPMBC), have been recorded in various solvents having different polarities. The spectrum peak was found to shift toward a higher wavelength with an increase in the solvent polarity. The dipole moments of the ground state (μg) and excited state (μe) were estimated using the Lippert, Bakshiev, and Kawski–Chamma–Viallet equations. The μe values were found to be greater than the μg values in all solvents, indicating that the dye is more polar i

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26

Dhanya, R., V. C. Kishore, C. Sudha Kartha, K. Sreekumar, and Rani Joseph. "Ground state and excited state dipole moments of alkyl substituted para-nitroaniline derivatives." Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 71, no. 4 (2008): 1355–59. http://dx.doi.org/10.1016/j.saa.2008.04.008.

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27

Kawski, A., D. Gloyna, P. Bojarski, J. Czajko та J. Gadomska-Lichacz. "The Effect of ω-Substituted Acceptors in 4-Dimethylamino-trans-Styrenes on the Polarity in the Ground and Excited Singlet State". Zeitschrift für Naturforschung A 45, № 11-12 (1990): 1230–34. http://dx.doi.org/10.1515/zna-1990-11-1202.

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ABSTRACTThe electric dipole moment in the ground (μg) and in the first excited singlet state (μe) of co-substituted acceptors in 4-dimethylamino-trans-styrenes (Z = P(S)Ph2 , P(O)Ph2 , SO2CH3 ) were determined by solvatochromic and thermochromic methods. The obtained values of μe and μg and the values for Z = CN and Z = NO 2 known from the literature [2] fulfill the linear relation between the dipole moments (μe or μg and the Hammett constants σp of the substituents. On pincreasing the electron-acceptor power of Z, μe grows faster than μg

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28

Rajeev, Sonam, and M. Husain Mudassir. "Solvent effect on coumarin dye Calculation of ground and excited state dipole moments." Journal of Indian Chemical Society Vol. 88, Oct 2011 (2011): 1541–46. https://doi.org/10.5281/zenodo.5790618.

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Physics Section, Department of Applied Sciences & Humanities, Faculty of Engineering & Technology, Jamia Millia Islamia (a Central University), New Delhi-110 025, India <em>E-mail</em> : mmudassirh@rediffmail.com Fax : 91-11-26988816 Sardar Vallabbhai National Institute of Technology (SVNIT), Surat, Gujarat, India <em>Manuscript received 31 August 2010, revised 02 March 2011, accepted 17 March 2011</em> Absorption and fluorescence spectra of 7-diethylamino-4-methyl coumarin in polar and non-polar solvents have been studied. The excited state dipole moment (μe) has been found to be m

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29

Salam, A. "Van der Waals Dispersion Potential between Excited Chiral Molecules via the Coupling of Induced Dipoles." Physics 5, no. 1 (2023): 247–60. http://dx.doi.org/10.3390/physics5010019.

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The retarded van der Waals dispersion potential between two excited chiral molecules was calculated using an approach, in which electric and magnetic dipole moments are induced in each particle by fluctuations in the vacuum electromagnetic field. An expectation value of the coupling of the moments at different centres to the dipolar interaction tensors was taken over excited matter states and the ground state radiation field, the former yielding excited molecular polarisabilities and susceptibilities, and the latter field–field spatial correlation functions. The dispersion potential term propo

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30

Acemioğlu, Bilal, Mustafa Arık, Hasan Efeoğlu, and Yavuz Onganer. "Solvent effect on the ground and excited state dipole moments of fluorescein." Journal of Molecular Structure: THEOCHEM 548, no. 1-3 (2001): 165–71. http://dx.doi.org/10.1016/s0166-1280(01)00513-9.

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31

Biradar, D. S., B. Siddlingeshwar, and S. M. Hanagodimath. "Estimation of ground and excited state dipole moments of some laser dyes." Journal of Molecular Structure 875, no. 1-3 (2008): 108–12. http://dx.doi.org/10.1016/j.molstruc.2007.04.005.

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32

Párkányi, Cyril, Michelle R. Stem-Beren, Omar R. Martı́nez, Jean-Jacques Aaron, Mihaela Bulaceanu-MacNair, and Antonio F. Arrieta. "Solvatochromic correlations and ground- and excited-state dipole moments of curcuminoid dyes." Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 60, no. 8-9 (2004): 1805–10. http://dx.doi.org/10.1016/j.saa.2003.07.013.

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33

Baumann, W., and Z. Nagy. "Photoinduced charge transfer as revealed by ground and excited state dipole moments." Pure and Applied Chemistry 65, no. 8 (1993): 1729–32. http://dx.doi.org/10.1351/pac199365081729.

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34

Khadem Sadigh, Mahsa, Majid Hasani, and Jinous Rahimpour. "Studying Media Polarity Effects on the Photo-Physical Behaviors of Organometallic Complexes with Azo-Containing Schiff-Base Ligands." Zeitschrift für Physikalische Chemie 232, no. 12 (2018): 1807–25. http://dx.doi.org/10.1515/zpch-2017-1062.

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Abstract Solvent molecules as an important factor can modify the photo-physical behavior of organometallic complexes. For precise investigation, in this paper, the spectral behavior of some groups of copper complexes with different substituents were studied in various solvent media. In this case, the linear solvation energy relationships concept was used for determination of various contribution of media induced specific and non-specific interactions on the photo-physical behavior of various forms of organometallic complexes with azo-containing Schiff-base dyes. Moreover, the calculated dipole

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35

Tangod, V. B., Prasad Raikar, B. M. Mastiholi, and U. S. Raikar. "Solvent polarity studies of highly fluorescent laser dye ADS740WS and its fluorescence quenching with silver nanoparticles." Canadian Journal of Physics 92, no. 2 (2014): 116–23. http://dx.doi.org/10.1139/cjp-2013-0250.

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Determination of ground state and excited state dipole moments of a highly fluorescent laser dye molecule ADS740WS and comparison of excited state dipole moment by Lippert, Bakhashiev, Kawski–Chamma–Viallet, McRae, Suppan, and solvent polarity methods. Kamlet–Abboud–Taft and Katritzky multilinear analysis for characterizing the solvent contribution into spectral features of the dye has also been studied. Correlation analysis of spectroscopic data with multiple polarity parameters was carried out by multiple linear regression analysis. Optical absorption and fluorescence of ADS740WS in alcohol

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36

Khanapurmath, Sujatha, Netravati Khanapurmath, and Shilpa Nayak. "Solvatochromic Studies of Chalcones in Alcohols." Der Pharma Chemica 14, no. 7 (2022): 10. https://doi.org/10.4172/0975-413X.14.7.1-11.

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The absorption and fluorescence spectra of substituted chalcones have been studied in various alcohols at room temperature. A reasonable agreement is observed with ground and excited state dipole moments which is determined using solvatochromic method based on the solvent properties f1(ε,n) and f2(ε,n). Change in dipole moment is also determined. Chalcones are a class of compounds in which two aromatic planar rings are connected through α, β-unsaturated carbonyl system exerting strong electron donor-acceptor interactions depending on the substituent attached to the a

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37

Kawski, A., B. Kukliński, and P. Bojarski. "Thermochromic Shifts of Absorption and Fluorescence Spectra and Excited State Dipole Moment of PRODAN." Zeitschrift für Naturforschung A 55, no. 5 (2000): 550–54. http://dx.doi.org/10.1515/zna-2000-0512.

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Abstract Using the thermochromic shift method of absorption and fluorescence spectra, the dipole moments in the ground, µg, and excited. µe , state are simultaneously determined for PRODAN in ethyl acetate. The obtained values for µg and µe are compared with those previously determined by the solvatochromic method for two different Onsager radii, and a satisfactory agreement has been obtained

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38

Pandey, Nupur, Neeraj Tewari, Sanjay Pant, and Mohan Singh Mehata. "Solvatochromism and estimation of ground and excited state dipole moments of 6-aminoquinoline." Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 267 (February 2022): 120498. http://dx.doi.org/10.1016/j.saa.2021.120498.

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39

Józefowicz, Marek, Marek Aleksiejew, Janina R. Heldt, and Józef Heldt. "Ground and excited state dipole moments of ortho derivatives of methyl p-dimethylaminobenzoate." Journal of Molecular Liquids 157, no. 1 (2010): 61–66. http://dx.doi.org/10.1016/j.molliq.2010.08.010.

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40

Dorohoi, Dana Ortansa, Dan Gheorghe Dimitriu, Cezarina Morosanu, and Valentina Closca. "EXCITED STATE DIPOLE MOMENT OF 4-(P-TOLYL-DIAZENYL)-PHENYL ACRYLATE (AZD) ESTIMATED BY VARIATIONAL METHOD." Acta Chemica Iasi 33, no. 1 (2025): 83. https://doi.org/10.47743/achi-2025-1-0005.

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The azobenzene derivative 4-(p-tolyl-diazenyl)-phenyl acrylate (AZD) is studied here from the solvatochromic point of view in order to characterize the interactions from its binary and ternary solutions and to estimate the excited state dipole moment. The molecular descriptors of the AZD molecule were computed using quantum chemical software. The hypothesis of McRae was applied to determine the value of the excited state dipole moment based on both correlation coefficients deduced from the solvatochromic study and computed molecular descriptors of the solute molecule. The new variational metho

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41

Doma, S. B. "Ground and excited state characteristics of the nuclei with A = 6." Nuclear Physics and Atomic Energy 22, no. 1 (2021): 19–29. http://dx.doi.org/10.15407/jnpae2021.01.019.

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The binding energy, the root-mean-square radius, the magnetic dipole moment, the electric quadrupole moment, and the moment of inertia of the nucleus 6Li are calculated by applying different models. The translation invariant shell model is applied to calculate the binding energy, the root-mean-square radius, and the magnetic dipole moment by using two- and three-body interactions. Also, the spectra of the nuclei with A = 6 are calculated by using the translation-invariant shell model. Moreover, the ft-value of the allowed transition: 6He(Jπ=0+;T=1)β- → 6Li(Jπ=1+;T'=1) is also calculated. Furth

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42

Anilkumar, Hanumaiah, Selvaraj Selvanandan, Metikurke Amruthesh Omkariah, Mahadevaiah Harish Kumar, Hosapalya Thimmaiah Srinivasa, and Bandrehalli Siddagangaiah Palakshamurthy. "Synthesis, crystal structure, Hirshfeld surface analysis, density function theory calculations and photophysical properties of methyl 4′-[(4-bromobenzoyl)oxy]biphenyl-4-carboxylate: a compound with bromine...oxygen contacts." Acta Crystallographica Section E Crystallographic Communications 81, no. 3 (2025): 264–70. https://doi.org/10.1107/s2056989025001604.

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In the molecular title compound, C21H15BrO4, the dihedral angles between the aromatic bromo-benzene ring and the immediate neighbors (first and second aromatic ring of the biphenyl moiety) are 56.57 (2) and 50.91 (4)°. The dihedral angle between the aromatic rings of the biphenyl fragment is 5.78 (4)°. The torsion angles across the ester groups associated with bromo-benzene and methyl moieties are 178.0 (1) and 176.86 (2)°, respectively, revealing an anti-periplanar conformation in both cases. In the crystal, the packing of the molecules is stabilized by Br...O contacts running infinitely alon

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43

Kawski, A., A. Kubicki, and J. Czajko. "The Effect of Substituents on the Polarity in the First Excited Singlet State of Some trans-Styryl-Methyl-Sulfones." Zeitschrift für Naturforschung A 44, no. 12 (1989): 1163–66. http://dx.doi.org/10.1515/zna-1989-1205.

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Abstract The effect of substituents R (R=N(CH3)2, OCH3, CH3, H, Cl, Br, CN) on the polarity of trans-styryl-methyl-sulfones in the first excited singlet state is investigated. Linear relations are found between the dipole moment in the excited state, μe, and the Hammett constant, σp+ , and also between μe and the dipole moment in the ground state, μg. On increasing the electron-donor power of R, μe grows faster than μg.

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44

Patil, Shivaram N., F. M. Sanningannavar, B. S. Navati, N. R. Patil, R. A. Kusanur, and R. M. Melavanki. "Photophysical characteristics of two novel coumarin derivatives: Experimental and theoretical estimation of dipole moments using the solvatochromic shift method." Canadian Journal of Physics 92, no. 11 (2014): 1330–36. http://dx.doi.org/10.1139/cjp-2013-0685.

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The exited state (μe) dipole moment of a molecule is an important parameter, which gives information about electronic and geometrical structure of the molecule in the short-lived state. We have experimentally estimated the exited state (μe) dipole moment of two novel coumarin derivatives, namely, diethyl 2-acetamido-2-((6-methyl-2-oxo-2H-chromen-4-yl) methyl) malamute (DAM) and 5,6-Benzo-3-[1-(4,5-dicarbomethoxy-1,2,3-triazoloacetyl)] coumarin (5BDTC) by three methods, namely, Lippert’s, Bakhshiev’s, and Kawski–Chamma–Viallet’s. In the Solvatochromic shift method, spectral shift is due to inte

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45

Sunil Kumar, N., K. N. N. Prasad, S. Chandrasekhar, J. Thipperudrappa, and Mayadevi Kalgi. "Solvatochromic and theoretical study of 1,3-benzodioxole derivative." Journal of Physics: Conference Series 2748, no. 1 (2024): 012014. http://dx.doi.org/10.1088/1742-6596/2748/1/012014.

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Abstract The solvatochromic UV-Vis absorption and emission characteristics of (E)-1-(4-hydroxypiperidin-1-yl)-3-(7-methoxybenzo[d][1,3]dioxol-5-yl)prop-2-en-1-one compound were studied in solvents of various polarities. The various types of interactions present between the solute-solvent were studied by means of Catalan’s and Kamlet’s techniques. Furthermore, the excited state dipole moment of the compound was estimated using the Lippert’s, Kawski-Chamma-Viallet’s, Bakhshiev’s, and E N T solvent polarity parameters. It was noticed that the excited state dipole moment was more than the dipole m

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Melavanki, Raveendra, C. Siddaraju, and T. S. Srivatsan. "Polymer reinforced with nanoparticles and made using the spin coating technique: characterization and analysis." Material Science & Engineering International Journal 8, no. 4 (2024): 118–27. http://dx.doi.org/10.15406/mseij.2024.08.00244.

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In this research paper, thin films of polyethersulfone reinforced with different concentrations of the zinc-nickel ferrite nanoparticles [ZnNiFe] using the spin coating technique is presented and briefly discussed. The polymer chosen was polyethersulfone. Optical characterization of the test samples was carried out using different spectroscopic techniques at room temperature [25°C]. The structural properties, texture, and morphological characteristics of the as-prepared thin films were studied using the techniques of Fourier transform infrared spectroscopy [FTIR], X-ray diffraction [XRD] spect

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Wilke, Josefin, Martin Wilke, W. Leo Meerts, and Michael Schmitt. "Determination of ground and excited state dipole moments via electronic Stark spectroscopy: 5-methoxyindole." Journal of Chemical Physics 144, no. 4 (2016): 044201. http://dx.doi.org/10.1063/1.4940689.

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48

Ludwig, Valdemir, Kaline Coutinho, Antonio Carlos Borin, and Sylvio Canuto. "Electronic polarization of 1H-benzotriazole in water: Ground and first excited-state dipole moments." International Journal of Quantum Chemistry 95, no. 4-5 (2003): 572–79. http://dx.doi.org/10.1002/qua.10688.

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49

Lucassen, Gerald W., Wim P. De Boeij, and Jan Greve. "Polarization-Sensitive CARS of Excited-State Rhodamine 6G: Induced Anisotropy Effects on Depolarization Ratios." Applied Spectroscopy 47, no. 12 (1993): 1975–88. http://dx.doi.org/10.1366/0003702934066578.

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Resonance polarization-sensitive coherent anti-Stokes Raman scattering (PS CARS) spectra of the electronic ground state and excited singlet S1 state of rhodamine 6G in ethanol were obtained with the use of the pump-probe technique with nanosecond time resolution. Variation of the polarization orientation of the pump laser beam showed differences in the excited-state spectra due to optically induced anisotropy. The pure electronic susceptibility of ground-state rhodamine 6G was shown to be small in comparison with nonresonant susceptibility of the solvent, and was neglected in further analyses.

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50

Urban, Miroslav, Pavel Neogrády, Juraj Raab, and Geerd H. F. Diercksen. "Accuracy Assessment of the ROHF-CCSD(T) Calculationsof Dipole Moments of Small Radicals." Collection of Czechoslovak Chemical Communications 63, no. 9 (1998): 1409–30. http://dx.doi.org/10.1135/cccc19981409.

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Dipole moments of a series of radicals, OH, NO, NS, SF, SO, PO, ClO, CN, LiO, NO2, and ClO2 were calculated by the Coupled Cluster CCSD(T) method with the single determinant restricted open shell Hartree-Fock (ROHF) reference. For all molecules theoretical dipole moments were carefully compared to experimental values. The size and the quality of the basis set were systematically improved. Spin adaptation in the ROHF-CCSD(T) method, largest single and double excitation amplitudes and the T1 diagnostics were considered as indicators in the quality assessment of calculated dipole moments. For mos

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