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1

Okamoto, Masami, Satoshi Hirayama, and Ronald P. Steer. "A reinterpretation of the unusual barochromism of azulene." Canadian Journal of Chemistry 85, no. 6 (2007): 432–37. http://dx.doi.org/10.1139/v07-052.

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The UV–vis spectra of azulene in methylcyclohexane and acetonitrile solution at room temperature have been measured as a function of applied pressure in the 0.1–600 MPa range. The solvatochromic shifts are normal, but the barochromic shifts are unusual (hypsochromic shift in the S1–S0 absorption bands vs. normal bathochromic shifts in its S2–S0 and S3–S0 absorption bands). An analytical relationship between the barochromic shift and the differences in the polarizabilities and dipole moments of the two radiatively coupled electronic states has been derived. The unusual barochromism of azulene h
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2

Telegin, Felix Y., Viktoria S. Karpova, Anna O. Makshanova, Roman G. Astrakhantsev, and Yuriy S. Marfin. "Solvatochromic Sensitivity of BODIPY Probes: A New Tool for Selecting Fluorophores and Polarity Mapping." International Journal of Molecular Sciences 24, no. 2 (2023): 1217. http://dx.doi.org/10.3390/ijms24021217.

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This research work is devoted to collecting a high-quality dataset of BODIPYs in a series of 10–30 solvents. In total, 115 individual compounds in 71 solvents are represented by 1698 arrays of the spectral and photophysical properties of the fluorophore. Each dye for a series of solvents is characterized by a calculated value of solvatochromic sensitivity according to a semiempirical approach applied to a series of solvents. The whole dataset is classified into 6 and 24 clusters of solvatochromic sensitivity, from high negative to high positive solvatochromism. The results of the analysis are
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3

Pigot, Corentin, Guillaume Noirbent, Thanh-Tuân Bui, et al. "Push-Pull Chromophores Based on the Naphthalene Scaffold: Potential Candidates for Optoelectronic Applications." Materials 12, no. 8 (2019): 1342. http://dx.doi.org/10.3390/ma12081342.

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A series of ten push-pull chromophores comprising 1H-cyclopenta[b]naphthalene-1,3(2H)-dione as the electron-withdrawing group have been designed, synthesized, and characterized by UV-visible absorption and fluorescence spectroscopy, cyclic voltammetry and theoretical calculations. The solvatochromic behavior of the different dyes has been examined in 23 solvents and a positive solvatochromism has been found for all dyes using the Kamlet-Taft solvatochromic relationship, demonstrating the polar form to be stabilized in polar solvents. To establish the interest of this polyaromatic electron acce
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4

Merkushev, Dmitry, Olga Vodyanova, Felix Telegin, Pavel Melnikov, Nikolay Yashtulov, and Yuriy Marfin. "Design of Promising aza-BODIPYs for Bioimaging and Sensing." Designs 6, no. 2 (2022): 21. http://dx.doi.org/10.3390/designs6020021.

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The obtainment of new luminophores for molecular sensorics of biosystems is becoming one of the urgent tasks in the field of chemical synthesis. The solution to each practical problem imposes its own limitations in the design of new structures with practically useful properties. The relationship between the structure and spectral properties is still to be unveiled. Three aza-BODIPY complexes with substituents of different natures were studied using time-resolved and steady-state fluorescence and absorption spectroscopy. The solvatochromic properties of aza-BODIPYs were studied with the use of
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5

Степко, А. С., А. А. Медведева, А. В. Кошкин -=SUP=-1-=/SUP=- та П. В. Лебедев-Степанов. "Избирательная сольватация красителя 4-DASPI в бинарном растворителе вода-этиленгликоль". Оптика и спектроскопия 129, № 12 (2021): 1502. http://dx.doi.org/10.21883/os.2021.12.51737.2467-21.

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Solvatochromic shifts of the absorption spectra maxima of the dye 4-DASPI (4- [4- (dimethylamino) styryl] -1-methylpyridinium iodide) in a binary solvent water-ethyleneglycol in the concentration range 0-100% were experimentally investigated. The dependence of the solvatochromic shift on the macroscopic dielectric constant of the solution and the concentration of ethyleneglycol was determined. The Onsager-Liptay model was used for the theoretical interpretation of the experimental data. It made it possible to estimate the effective dielectric constant in the microscopic area that contacts with
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6

Afri, Michal, Hugo E. Gottlieb, and Aryeh A. Frimer. "Reichardt’s dye: the NMR story of the solvatochromic betaine dye." Canadian Journal of Chemistry 92, no. 2 (2014): 128–34. http://dx.doi.org/10.1139/cjc-2013-0349.

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Reichardt’s dye, 2,6-diphenyl-4-(2,4,6-triphenyl-1-pyridinio)phenolate (1), has a very large negative solvatochromism in the long wavelength absorption in the UV–vis spectrum when going from nonpolar to polar solvents. This shift provides the basis of the important and widely used ET(30) scale of solvent polarity. While many papers have investigated the properties of this dye, only a few describe the 1H and 13C NMR assignments in any detail. We report herein, our detailed analysis of the proton and carbon chemical shift assignments for this molecule based on 1D and 2D NMR measurements, as well
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7

Cartwright, Steven J. "Homeopathic Potencies May Possess an Electric Field(-like) Component: Evidence from the Use of Encapsulated Solvatochromic Dyes." Homeopathy 109, no. 01 (2019): 014–22. http://dx.doi.org/10.1055/s-0039-1693985.

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Background Homeopathic potencies have been shown to interact with a range of solvatochromic dyes to produce spectroscopic changes in the visible region of the electromagnetic spectrum. Furthermore, the nature of the changes observed under different experimental conditions is beginning to limit the number of possible hypotheses that can be put forward regarding the fundamental identity of potencies. Aims and Methods The present study uses β-cyclodextrins to encapsulate solvatochromic dyes of widely varying structures. The purpose of this approach is to de-couple the primary dye–potency interact
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8

Petrov, Nikolai Kh, Alexander Wiessner, and Hubert Staerk. "Transient dynamics of solvatochromic shift in binary solvents." Journal of Chemical Physics 108, no. 6 (1998): 2326–30. http://dx.doi.org/10.1063/1.475617.

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9

Babuşca, Daniela, Cezarina Ana Moroşanu, and Dana Ortansa Dorohoi. "Solvatochromic Study of Two Pyridazinium Ylids Binary Solutions." International conference KNOWLEDGE-BASED ORGANIZATION 22, no. 3 (2016): 598–602. http://dx.doi.org/10.1515/kbo-2016-0103.

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Abstract The wavenumbers in the maximum of intramolecular charge transfer (ICT) visibile band of two pyridazinium ylids binary solutions were analized using Kamlet and Taft empirical parameters and the Hildebrand’s solubility parameter. The Hildebrand’s solubility parameter values, δH2, measures the energy needed to separate the solvent molecules. A linear solvation energy relationship (LSER) allows separating the contributions of different types of interactions to the total spectral shift. The supply of universal and specific interactions as well as the supply of solvent-solvent interactions
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10

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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11

Sugiana, Rusdia Shaleha, Reza Umami, Fitri Aulia Permatasari, and Bebeh Wahid Nuryadin. "Solvatochromic Behavior of Solid-State Nitrogen-Doped Carbon Nanoparticles: Initial Study." Journal of Physics: Conference Series 2734, no. 1 (2024): 012041. http://dx.doi.org/10.1088/1742-6596/2734/1/012041.

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Abstract Carbon nanoparticles (CNPs) have garnered significant attention among researchers due to their cost-effectiveness and tunable properties, rendering them applicable in a wide array of fields, including biomedicine, optoelectronics, catalysis, and sensing. The solvatochromic effect denotes the phenomenon of a compound exhibiting a color change or a shift in its photoluminescence spectrum. In this study, we investigated the solvatochromic behavior of CNPs doped Nitrogen synthesized through the solid-state route using citric acid and urea, dissolved in solvents with varying polarity indic
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12

Kadadevarmath, J. S., G. H. Malimath, N. R. Patil, H. S. Geethanjali, and R. M. Melavanki. "Solvent effect on the dipole moments and photo physical behaviour of 2,5-di-(5-tert-butyl-2-benzoxazolyl) thiophene dye." Canadian Journal of Physics 91, no. 12 (2013): 1107–13. http://dx.doi.org/10.1139/cjp-2013-0195.

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The absorption and emission spectra of fluorescent thiophene dye, namely, 2,5-di-(5-tert-butyl-2-benzoxazolyl) thiophene, have been recorded at room temperature in solvents of different polarities. The excited state dipole moments (μe) were estimated from Lippert’s, Bakhshiev’s, and Kawski–Chamma–Viallet’s equations using the variation of Stoke’s shift with the solvent dielectric constant and refractive index. The optimized geometry of the molecule and μg were calculated theoretically by Gaussian 03 software using B3LYP/6-31g* level of theory. The μg and μe were calculated by means of solvatoc
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13

Hüttenhain, Stefan H., and Wolfgang Balzer. "Solvatochromic Fluorescence of 8-(Phenylamino)-1-naphthalene-ammoniumsulfonate (8,1 ANS) in 1,4-Dioxane/Water Mixtures, revisited." Zeitschrift für Naturforschung A 48, no. 5-6 (1993): 709–12. http://dx.doi.org/10.1515/zna-1993-5-623.

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Abstract The correlation of the solvatochromic fluorescence properties of 8-(phenylamino)-1-naphthalene-ammoniumsulfonate (8,1 ANS) in 1,4-dioxane/water mixtures with Eτ(30) and Δƒ values of the respective solvents shows that besides the polarity the nature of the solvent mixture determines the fluorescence intensity I and the Stokes shift Δv̅. Different amounts of hydrogen-bonding are suggested to be responsible for the different slopes of the correlation line plots. Key words: Solvatochromic fluorescence 8-(phenylamino)-1-naphthalene-ammoniumsulfonate (8,1 ANS); Semi-empiric polarity paramet
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14

Renge, Indrek. "Solvatochromic shift mechanisms of centrosymmetric chromophores in polar liquids." Journal of Photochemistry and Photobiology A: Chemistry 239 (July 2012): 7–16. http://dx.doi.org/10.1016/j.jphotochem.2012.04.016.

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15

Urahata, Sérgio, Kaline Coutinho, and Sylvio Canuto. "Hydrophobic interaction and solvatochromic shift of benzene in water." Chemical Physics Letters 274, no. 1-3 (1997): 269–74. http://dx.doi.org/10.1016/s0009-2614(97)00642-8.

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16

Fonseca, Tertius L., Kaline Coutinho, and Sylvio Canuto. "Polarization and solvatochromic shift of ortho-betaine in water." Chemical Physics 349, no. 1-3 (2008): 109–14. http://dx.doi.org/10.1016/j.chemphys.2007.12.026.

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17

Zharinova, Irina, Nicolau Saker Neto, Tze Cin Owyong, Jonathan M. White, and Wallace W. H. Wong. "Synthesis and Solvatochromic Behavior of Zwitterionic Donor–Bridge–Acceptor Systems with Oligo(p-phenylene) Spacers." Organic Materials 03, no. 02 (2021): 103–18. http://dx.doi.org/10.1055/s-0041-1725075.

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Oligo(p-phenylene)s with a donor phenol group and an acceptor pyridinium moiety separated by one and two p-phenylene units were synthesized by the linear iterative Suzuki–Miyaura coupling method using aryl nonaflates as effective coupling reagents. Zwitterionic forms of these push–pull molecules were generated upon deprotonation of the phenol leading to large redshifts in absorbance maxima. UV-vis absorbance studies also revealed strong dependence of the band position on solvent polarity: a smooth bathochromic shift can be observed with the decrease of the solvent polarity. The molecule with o
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18

Renuka, C. G., Anil Kumar, A. G. Pramod, et al. "Photophysical properties of novel fluorescent 1-(3-Hydroxy-benzofuran-2-yl)-benzo[f]chromen-3-one derivative: models for correlation solvent polarity scales." Canadian Journal of Physics 97, no. 5 (2019): 548–57. http://dx.doi.org/10.1139/cjp-2018-0116.

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Photophysical and spectral properties of a new benzofuran-derivative-based fluorescent probe 1-(3-Hydroxy-benzofuran-2-yl)-benzo[f]chromen-3-one (1-HBBC) were considered in various parameters of solvents, making use of UV–Vis absorption and fluorescence emission spectroscopy. The absorption and fluorescence emission peak maxima were observed between 260–349 and 400–485 nm, respectively, prompting Stokes’ shift between 13 993 and 18 495 cm−1. Diverse solvent parameters have been utilized to understand the solvatochromism of 1-HBBC. This information is applied to understand the effects of the so
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19

Cartwright, Steven. "Investigating homeopathic potencies with membrane bound solvatochromic dyes." International Journal of High Dilution Research - ISSN 1982-6206 18, no. 02 (2021): 05. http://dx.doi.org/10.51910/ijhdr.v18i02.986.

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Background Solvatochromic dyes have demonstrated themselves to be useful probes in the molecular-level study of homeopathic potencies. The range of dyes available, and their broad division into two main electronic structural groups, is permitting a detailed investigation of the fundamental nature of potencies. The immobilisation of solvatochromic dyes on transparent membranes takes these investigations to a new level of investigative precision. Aims To attach as many different solvatochromic dyes as possible to triacetylcellulose membranes, and where successful, to observe in detail the spectr
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20

Wildervanck, Martijn J., Reinhard Hecht, and Agnieszka Nowak-Król. "Synthesis and Strong Solvatochromism of Push-Pull Thienylthiazole Boron Complexes." Molecules 27, no. 17 (2022): 5510. http://dx.doi.org/10.3390/molecules27175510.

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The solvatochromic behavior of two donor-π bridge-acceptor (D-π-A) compounds based on the 2-(3-boryl-2-thienyl)thiazole π-linker and indandione acceptor moiety are investigated. DFT/TD-DFT calculations were performed in combination with steady-state absorption and emission measurements, along with electrochemical studies, to elucidate the effect of two different strongly electron-donating hydrazonyl units on the solvatochromic and fluorescence behavior of these compounds. The Lippert–Mataga equation was used to estimate the change in dipole moments (Δµ) between ground and excited states based
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21

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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22

Babusca, Daniela, Andrei Vleoanga, and Dana Ortansa Dorohoi. "Solvatochromic and Computational Study of Some Cycloimmonium Ylids." Liquids 4, no. 1 (2024): 171–90. http://dx.doi.org/10.3390/liquids4010009.

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This article contains a comparative spectral analysis corroborated with the quantum mechanical computations of four cycloimmonium ylids. The spectral shift of the visible electronic absorption band of the studied molecules in 20 solvents with different empirical parameters is expressed by linear multi-parametric dependences that emphasize the intramolecular charge transfer (ICT) process. The nature of molecular interactions and their contribution to the spectral shift of the visible ICT band of solutes are also established in this manuscript. The results of the statistical analysis are used to
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23

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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24

Oka, H., and O. Kajimoto. "UV absorption solvatochromic shift of 4-nitroaniline in supercritical water." Physical Chemistry Chemical Physics 5, no. 12 (2003): 2535. http://dx.doi.org/10.1039/b211848n.

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25

Joshi, Sunita, and Debi D. Pant. "Solvatochromic shift and estimation of dipole moment of quinine sulfate." Journal of Molecular Liquids 166 (February 2012): 49–52. http://dx.doi.org/10.1016/j.molliq.2011.11.012.

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26

Noukakis, Dimitri, and Paul Suppan. "Excited state dipole moments of fluoroanilines from solvatochromic shift measurements." Spectrochimica Acta Part A: Molecular Spectroscopy 43, no. 11 (1987): 1317–22. http://dx.doi.org/10.1016/s0584-8539(87)80003-x.

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27

Ichikawa, Tsuneki, Ken-ichi Ueda, and Hiroshi Yoshida. "Solvatochromic Shift of Aromatic Ketyl Anions due to Hydrogen Bonding." Bulletin of the Chemical Society of Japan 64, no. 9 (1991): 2695–99. http://dx.doi.org/10.1246/bcsj.64.2695.

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28

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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29

Kovács, Sándor Lajos, Miklós Nagy, Péter Pál Fehér, Miklós Zsuga, and Sándor Kéki. "Effect of the Substitution Position on the Electronic and Solvatochromic Properties of Isocyanoaminonaphthalene (ICAN) Fluorophores." Molecules 24, no. 13 (2019): 2434. http://dx.doi.org/10.3390/molecules24132434.

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The properties of 1,4-isocyanoaminonaphthalene (1,4-ICAN) and 2,6-isocyanoaminonaphthalene (2,6-ICAN) isomers are discussed in comparison with those of 1,5-isocyanoaminonaphthalene (1,5-ICAN), which exhibits a large positive solvatochromic shift similar to that of Prodan. In these isocyanoaminonaphthalene derivatives, the isocyano and the amine group serve as the donor and acceptor moieties, respectively. It was found that the positions of the donor and the acceptor groups in these naphthalene derivatives greatly influence the Stokes and solvatochromic shifts, which decrease in the following o
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30

Hu, Hang, Charles H. Wolstenholme, Xin Zhang, and Xiaosong Li. "Inverted solvatochromic Stokes shift in GFP-like chromophores with extended conjugation." Chinese Journal of Chemical Physics 31, no. 4 (2018): 599–607. http://dx.doi.org/10.1063/1674-0068/31/cjcp1806160.

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31

Hasan, Sadiq. "Synthesis, and studying effect of a solvent on the 1H-NMR chemical shifts of 4-Azido-N-(6-chloro-3-pyridazinyl)benzenesulfonamide." Al-Qadisiyah Journal Of Pure Science 26, no. 3 (2021): 1–11. http://dx.doi.org/10.29350/qjps.2021.26.3.1429.

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The compound 4-Azido-N-(6-chloro-3-pyridazinyl)benzenesulfonamide was synthesized and studied using FTIR, and 1H-NMR . The influence of a solvent on the experimental 1H-NMR chemical shifts of title compound is discussed. Small chemical shift Δδ < 0.1 ppm were observed when switching from DMSO-d6 to CD3OD. Record a marked change in chemical shifts valeues Δδ > 0.3 ppm when transform from high-polar solvents (DMSO-d6,and CD3OD) to low-polar solvent (CDCl3). The 1H-NMR chemical shifts of C2-H and C6-H were shown to have excellent linear correlation with the dielectric constants of the solve
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32

Cho, Jaedu, Farouk Nouizi, Chang-Seok Kim, and Gultekin Gulsen. "Monitoring Distribution of the Therapeutic Agent Dimethyl Sulfoxide via Solvatochromic Shift of Albumin-Bound Indocyanine Green." Sensors 23, no. 18 (2023): 7728. http://dx.doi.org/10.3390/s23187728.

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We recently developed a novel hyperspectral excitation-resolved near-infrared fluorescence imaging system (HER-NIRF) based on a continuous-wave wavelength-swept laser. In this study, this technique is applied to measure the distribution of the therapeutic agent dimethyl sulfoxide (DMSO) by utilizing solvatochromic shift in the spectral profile of albumin-bound Indocyanine green (ICG). Using wide-field imaging in turbid media, complex dynamics of albumin-bound ICG are measured in mixtures of dimethyl sulfoxide (DMSO) and water. Phantom experiments are conducted to evaluate the performance of th
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33

Nandy, Ritesh, and Sethuraman Sankararaman. "Donor-acceptor substituted phenylethynyltriphenylenes – excited state intramolecular charge transfer, solvatochromic absorption and fluorescence emission." Beilstein Journal of Organic Chemistry 6 (October 18, 2010): 992–1001. http://dx.doi.org/10.3762/bjoc.6.112.

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Several 2-(phenylethynyl)triphenylene derivatives bearing electron donor and acceptor substituents on the phenyl rings have been synthesized. The absorption and fluorescence emission properties of these molecules have been studied in solvents of different polarity. For a given derivative, solvent polarity had minimal effect on the absorption maxima. However, for a given solvent the absorption maxima red shifted with increasing conjugation of the substituent. The fluorescence emission of these derivatives was very sensitive to solvent polarity. In the presence of strongly electron withdrawing (
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34

Wang, Yanjie, Lei Zhang, Bo Li, et al. "Voltage-heating responsive and patternable solvatochromism display utilizing nickel complex-Nafion film composites." Advances in Mechanical Engineering 14, no. 8 (2022): 168781322211164. http://dx.doi.org/10.1177/16878132221116484.

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In this work, a voltage-heating actuated flexible solvatochromic film is developed using the composites of Nafion film-nickel complexes with spray-coated silver nanowires (AgNWs). The nickel complexes, inside Nafion film through ion exchange, serve as colorable components due to the coordination number change of water molecules in solvatochromism. The color-changing process of the composites was characterized experimentally by adjusting the water content in films, which exhibit distinct coloration properties from red to green with an absorbency shift (0.25–0.60 at 420–550 nm). To achieve an el
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35

Sciortino, Cannas, and Messina. "Temperature-Dependence of Solvent-Induced Stokes Shift and Fluorescence Tunability in Carbon Nanodots." C 5, no. 2 (2019): 20. http://dx.doi.org/10.3390/c5020020.

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We carried out a cryogenic investigation on the optical properties of carbon dots, aiming to better understand their emission mechanism and the role of the solvent. The solvatochromic Stokes shift is quantified by a low temperature approach which allows freezing of the photo-excited state of carbon dots, preventing any solvation relaxation. Moreover, the reduction in temperature helps to identify the dynamical inhomogeneous contribution to the broadening of the emission band; therefore, disentangling the role of solvent from other types of broadening, such as the homogeneous and the static inh
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36

Zhukovetska, O. "SOLVATOCHROMIC PROPERTIES OF SOME 6,7-DIHYDROXYBENZOPYRYLLIUM PERCHLORATE DERIVATIVES." Ukrainian Chemistry Journal 89, no. 8 (2023): 117–26. http://dx.doi.org/10.33609/2708-129x.89.08.2023.117-126.

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The creation of new reagents based on benzopyrylium derivatives with improved che­mical-analytical characteristics is of interest because their preparative synthesis is relatively simple and consists in the condensation of triatomic phenols with β-dicarbonyl compounds. Benzopyryllium derivatives are reactive compounds and are able to redox reactions, complexes formation with polyvalent metal ions, and are also prone to acid-base transformations in solutions. It should be noted separately that hydroxyderivatives of ben­zopyrylium during complex formation can turn into anhydro bases with a quino
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37

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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38

Isago, Hiroaki, Yutaka Kagaya, and Akiyuki Matsushita. "Solvatochromic Shift of Phthalocyanine Q-band Governed by a Single Solvent Parameter." Chemistry Letters 33, no. 7 (2004): 862–63. http://dx.doi.org/10.1246/cl.2004.862.

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39

Bose, Samik, Suman Chakrabarty, and Debashree Ghosh. "Electrostatic Origin of the Red Solvatochromic Shift of DFHBDI in RNA Spinach." Journal of Physical Chemistry B 121, no. 18 (2017): 4790–98. http://dx.doi.org/10.1021/acs.jpcb.7b02445.

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40

Yan, Ming Xun, Ping Shen, Wei Zhang, Jin Dong Gong, and Chang Ying Yang. "The Synthesis and Optical Properties of Two BOPIMs Containing N,N-Dimethylaminophenyl Groups." Applied Mechanics and Materials 488-489 (January 2014): 265–68. http://dx.doi.org/10.4028/www.scientific.net/amm.488-489.265.

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The synthesis and nonlinear optical properties of two N, N-dimethylaminophenyl substituted BOPIMs, BOPIM-ma and BOPIM-dma, were investigated. A more significant solvatochromic shift is achieved in BOPIM-ma, which is more sensitive to solven. It is distinct that the energy gap between the HOMO and LUMO for BOPIM-ma, 2.503 ev, is larger than that of BOIM-dma, 2.449 ev, an indication of the functionalization of N,N-dimethylaminophenyl group.
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41

Akpe, Victor, Timothy J. Biddle, Christian Madu, Tak H. Kim, Christopher L. Brown, and Ian E. Cock. "Using new solvatochromic parameters to investigate dye–solvent interactions." Australian Journal of Chemistry 75, no. 3 (2022): 206–19. http://dx.doi.org/10.1071/ch21201.

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Solvatochromic behaviours of triazine substituted dyes were evaluated using a novel approach derived from the red shift index (RsI) and associated solvation energy (ASE). These parameters were used to describe the solvation trends of the dye–solvent interactions based on their polarity changes. The concept demonstrates the effect of substituent changes on the triazine scaffold and the induced solvent polarity changes as solvated dyes go through the HOMO–LUMO (highest occupied molecular orbital-lowest uncopied molecular orbital) phases. Primarily, these phases were characterised by evaluating t
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42

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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43

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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44

Pavlovich, Vladimir S. "Gas-phase energy of the S2←S0 transition and electrostatic properties of the S2 state of carotenoid peridinin via a solvatochromic shift and orientation broadening of the absorption spectrum." Photochem. Photobiol. Sci. 13, no. 10 (2014): 1444–55. http://dx.doi.org/10.1039/c4pp00124a.

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The solvent effect on the position and the shape of the absorption spectrum of peridinin for 12 protic and aprotic solvents as well as the temperature effect for methanol were studied using a solvatochromic theory based on the Onsager sphere cavity model.
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45

Ambrosi, Ecaterina, Alexandru Zara, Dana Ortansa Dorohoi, and Dan-Gheorghe Dimitriu. "Solvatochromic Analysis of Triton X-100 in Binary Mixtures." Symmetry 17, no. 2 (2025): 199. https://doi.org/10.3390/sym17020199.

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Binary solvent mixtures of the non-ionic surfactant Triton X-100 with water, methanol, ethanol, and 1-propanol, respectively, were investigated by solvatochromic studies. The absorption spectral bands of methyl red dye, used as a solvatochromic probe, were recorded in ternary solutions prepared with different mole ratios between Triton X-100 and water/alcohols. The Kamlet–Abboud–Taft model was applied to estimate the contribution of each type of intermolecular interaction to the total shift of the electronic absorption band of the solute. The composition of the solute molecule’s first solvatio
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46

Ravi, M., A. Samanta, and T. P. Radhakrishnan. "Excited State Dipole Moments from an Efficient Analysis of Solvatochromic Stokes Shift Data." Journal of Physical Chemistry 98, no. 37 (1994): 9133–36. http://dx.doi.org/10.1021/j100088a007.

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47

Ayachit, Narasimha H. "Excited state electric dipole moments of two laser dyes from solvatochromic shift measurements." Journal of Electron Spectroscopy and Related Phenomena 180, no. 1-3 (2010): 14–16. http://dx.doi.org/10.1016/j.elspec.2010.02.010.

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48

Suppan, Paul. "On the use of vacuum as a reference solvent in solvatochromic shift measurements." Spectrochimica Acta Part A: Molecular Spectroscopy 41, no. 11 (1985): 1353–54. http://dx.doi.org/10.1016/0584-8539(85)80246-4.

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49

Gryl, Marlena, Agnieszka Rydz, Joanna Wojnarska, et al. "Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate." IUCrJ 6, no. 2 (2019): 226–37. http://dx.doi.org/10.1107/s2052252518017037.

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Chromic materials are nowadays widely used in various technological applications, however understanding the effect and the possibility of tuning the obtained colour of a material are still challenging. Here a combined experimental and theoretical study is presented on the solvatochromic and crystallochromic effects in the (pseudo)polymorphs of tyraminium violurate. This organic material exhibits a large solvatochromic shift (ca 192 nm) associated with broad colour change (from yellow to dark violet). Tyraminum violurate crystallizes as red crystals of form (I) from water as a solvate, and as a
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50

Suhasini, Kilaru Padma, Jayanthi Suresh Kumar, Voosala Christopher, and Challa Gangu Naidu. "Synthesis, Characterization of New Benzopyran Pyrimidines and Study of their Solvatochromic Behaviour." Asian Journal of Chemistry 36, no. 4 (2024): 913–18. http://dx.doi.org/10.14233/ajchem.2024.30980.

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Five new benzopyran pyrimidines (5a-e) were synthesized in three steps by using silica-sulphuric acid as catalyst. All the synthesized benzopyran pyrimidines with various substituents were characterized by spectroscopic techniques such as 1H NMR, 13C NMR, IR and mass spectroscopy. The structural features of these molecules containing pyrimidine ring with π-conjugated systems and various functional groups on the aromatic rings greatly influence their photophysical properties. Thus, they behave as better candidates for developing the photoelectric materials. Thus, it is proposed to synthesize, c
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