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Journal articles on the topic 'Vibrational charge transfer'

Author: Grafiati

Published: 9 October 2021

Last updated: 30 July 2025

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1

Howard, Stephen L. "Vibrational energy transfer in symmetric N2 charge transfer." Canadian Journal of Physics 69, no. 5 (1991): 584–87. http://dx.doi.org/10.1139/p91-097.

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Results of the crossed-beam investigation of the symmetric charge-transfer reaction of N2+ (X2Σg, ν = 0) with N2 (X1Σg, ν = 0) near 10 eV collision energy showed a symmetrically resonant channel with Δν = 0 as well as a series of inelastically scattered channels. Upon deconvolution to remove the Δν = 0 contribution, the inelastic Δν = 1, 2, and 4 channels were readily observed.

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2

De Sio, Antonietta, Xuan Trung Nguyen, and Christoph Lienau. "Signatures of Strong Vibronic Coupling Mediating Coherent Charge Transfer in Two-Dimensional Electronic Spectroscopy." Zeitschrift für Naturforschung A 74, no. 8 (2019): 721–37. http://dx.doi.org/10.1515/zna-2019-0150.

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AbstractThe role of molecular vibrations for the persistence of quantum coherences, recently observed in photoinduced charge transfer reactions in both biological and artificial energy conversion systems at room temperature, is currently being intensely discussed. Experiments using two-dimensional electronic spectroscopy (2DES) suggest that vibrational motion – and its coupling to electronic degrees of freedom – may play a key role for such coherent dynamics and potentially even for device function. In organic photovoltaics materials, strong coupling of electronic and vibrational motion is pre

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3

Kato, Shuji, Michael J. Frost, Veronica M. Bierbaum та Stephen R. Leone. "Vibrational specificity for charge transfer versus deactivation in N2+(υ = 0, 1, 2) + Ar and O2 reactions". Canadian Journal of Chemistry 72, № 3 (1994): 625–36. http://dx.doi.org/10.1139/v94-087.

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Rate constants for charge transfer and vibrational deactivation in the N2+(X2Σg+, υ = 0, 1,2) + Ar and O2 reactions are directly measured by a state-resolved optical detection method. The novel, selected-ion flow tube, laser-induced fluorescence (SIFT–LIF) technique is used to study the vibrationally specific reactions at near-thermal collision energy. The total rate constant for N2+(υ = 1,2) + Ar increases by more than a factor of 40 relative to N2+(υ = 0). This enhancement is due exclusively to an increase in the charge transfer channel. The charge transfer rate constants for the N2+(υ) + Ar

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4

Kamitsos, E. I. "Fluorescence and vibrational studies of charge-transfer compounds." Synthetic Metals 27, no. 3-4 (1988): 315–20. http://dx.doi.org/10.1016/0379-6779(88)90162-2.

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5

Howard, Stephen L., Jaiming Wang, and Alan L. Rockwood. "Observation of translational-to-vibrational energy transfer in charge-transfer reactions of CO+ with CO using crossed-beam techniques." Canadian Journal of Physics 69, no. 5 (1991): 581–83. http://dx.doi.org/10.1139/p91-096.

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The crossed-beam method was used to investigate the charge-transfer reaction of CO+ (X2Σ+, ν = 0) with CO (X1Σ+, ν = 0). Scattering of CO+ demonstrates that several vibrational states are populated. At a collisional energy of 1.1 eV, transfer of translational energy to vibrational energy is shown to occur by changes of an even number of vibrational quanta.

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6

Mikhailova, Elena, and Valentina Mikhailova. "Effect of Vibrational Transitions on the Nonthermal Charge Transfer Probability." Mathematical Physics and Computer Simulation, no. 2 (June 2019): 76–85. http://dx.doi.org/10.15688/mpcm.jvolsu.2019.2.7.

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In the framework of the stochastic approach, the effect of transitions between the vibrational sublevels of products on the ultrafast dynamics of “hot” (non-thermal) electron transfer in donor — acceptor complexes dissolved in a polar medium has been investigated. An analytical expression has been obtained for the probability of electron transfer, which takes into account the transition between the vibrational states of products and the mutual influence of sinks. Quantitative estimates of the scale of the mutual influence of sinks on the probability of electron transfer are made.

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7

Delor, Milan, Paul A. Scattergood, Igor V. Sazanovich, et al. "Toward control of electron transfer in donor-acceptor molecules by bond-specific infrared excitation." Science 346, no. 6216 (2014): 1492–95. http://dx.doi.org/10.1126/science.1259995.

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Electron transfer (ET) from donor to acceptor is often mediated by nuclear-electronic (vibronic) interactions in molecular bridges. Using an ultrafast electronic-vibrational-vibrational pulse-sequence, we demonstrate how the outcome of light-induced ET can be radically altered by mode-specific infrared (IR) excitation of vibrations that are coupled to the ET pathway. Picosecond narrow-band IR excitation of high-frequency bridge vibrations in an electronically excited covalent trans-acetylide platinum(II) donor-bridge-acceptor system in solution alters both the dynamics and the yields of compet

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8

Ghosh, Pratyush, Antonios M. Alvertis, Rituparno Chowdhury, et al. "Decoupling excitons from high-frequency vibrations in organic molecules." Nature 629, no. 8011 (2024): 355–62. http://dx.doi.org/10.1038/s41586-024-07246-x.

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AbstractThe coupling of excitons in π-conjugated molecules to high-frequency vibrational modes, particularly carbon–carbon stretch modes (1,000–1,600 cm−1) has been thought to be unavoidable1,2. These high-frequency modes accelerate non-radiative losses and limit the performance of light-emitting diodes, fluorescent biomarkers and photovoltaic devices. Here, by combining broadband impulsive vibrational spectroscopy, first-principles modelling and synthetic chemistry, we explore exciton–vibration coupling in a range of π-conjugated molecules. We uncover two design rules that decouple excitons f

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9

Jamieson, M. J., D. L. Cooper, and B. Zygelman. "Vibrational levels in the N4++H charge transfer system." Journal of Physics B: Atomic, Molecular and Optical Physics 27, no. 4 (1994): L73—L78. http://dx.doi.org/10.1088/0953-4075/27/4/002.

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10

Oza, A. T., S. G. Patel, R. G. Patel, S. M. Prajapati, and Rajiv Vaidya. "Vibrational spectra of charge transfer complexes of lead phthalocyanine." Thin Solid Films 477, no. 1-2 (2005): 153–61. http://dx.doi.org/10.1016/j.tsf.2004.08.187.

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11

Lichtfus, G., and Th Zeegers-Huyskens. "Vibrational Spectra of Some Charge-Transfer Complexes of Anilines." Bulletin des Sociétés Chimiques Belges 82, no. 1-2 (2010): 123–31. http://dx.doi.org/10.1002/bscb.19730820110.

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12

Femila Nirmal, N. S., and T. F. Abbs Fen Reji. "DFT and Molecular Docking Study of 2-[2-(4-Chlorophenylaminothiazol-5-yl]benzothiazole." Asian Journal of Chemistry 31, no. 3 (2019): 695–98. http://dx.doi.org/10.14233/ajchem.2019.21780.

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The title compound was computed by means of DFT chemical quantum calculations to obtain optimized molecular geometry, harmonic vibrational frequencies and atomic charges. Vibrational bands to the various structural groups and their importance were predicted by analyzing the vibrational spectra. The data showed that B3LYP method provide satisfactory data for assigning vibrational frequencies and structural properties.The HOMO and LUMO energies calculated permit the determination of atomic and molecular parameters and they also represented the transfer of charge in the molecule. Mulliken atomic

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13

Kaur, Prabhjot. "Study of geometric, electronic structures and vibrations of 4, 4′, 4′′, 4′′′-(porphine-5,10,15,20 tetrayl) tetrakis (benzene sulfonic acid) compound by computational and experimental techniques." Journal of Porphyrins and Phthalocyanines 25, no. 04 (2021): 343–58. http://dx.doi.org/10.1142/s1088424621500413.

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The optimized geometry and vibrational frequencies of a substituted compound of tetraphenylporphine namely 4, 4[Formula: see text], 4[Formula: see text], 4[Formula: see text]-(porphine-5,10,15,20 tetrayl) tetrakis (benzene sulfonic acid) have been investigated using density functional theory. The vibrational spectra of tetraphenylporphine and its substituted complex were simulated to study the substitution effects of sulfonic acid group at the peripheral sites of tetraphenylporphine. Experimentally, vibrational properties of these molecules have been studied using infrared absorption spectrosc

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14

Archilla, Juan F. R., Jānis Bajārs, Yusuke Doi, and Masayuki Kimura. "A semiclassical model for charge transfer along ion chains in silicates." Journal of Physics: Conference Series 2769, no. 1 (2024): 012015. http://dx.doi.org/10.1088/1742-6596/2769/1/012015.

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Abstract It has been observed in fossil tracks and experiments in the layered silicate mica muscovite the transport of charge through the cation layers sandwiched between the layers of tetrahedra-octahedra-tetrahedra. A classical model for the propagation of anharmonic vibrations along the cation chains has been proposed based on first principles and empirical functions. In that model, several propagating entities have been found as kinks or crowdions and breathers, both with or without wings, the latter for specific velocities and energies. Crowdions are equivalent to moving interstitials and

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15

Omiya, Takuma, Yousoo Kim, Rasmita Raval, and Heike Arnolds. "Ultrafast Vibrational Dynamics of CO Ligands on RuTPP/Cu(110) under Photodesorption Conditions." Surfaces 2, no. 1 (2019): 117–30. http://dx.doi.org/10.3390/surfaces2010010.

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We have studied CO coordinated to ruthenium tetraphenylporphyrin (RuTPP)/Cu(110) and directly adsorbed to Cu(110), using femtosecond pump-sum frequency probe spectroscopy, to alter the degree of electron-vibration coupling between the metal substrate and CO. We observe the facile femtosecond laser-induced desorption of CO from RuTPP/Cu(110), but not from Cu(110). A change in the vibrational transients, in the first few picoseconds, from a red- to blue-shift of the C–O stretching vibration under photodesorption conditions, was also observed. This drastic change can be explained, if the cause of

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16

ABDULSATTAR, MUDAR AHMED, ASEEL MUHAMMEDNOORI ABDULSAHIB, NOORULDEEN MUDHER ALMAROOF, NAZAR MUDHER ALMAROOF, and ALI SADIQ ALRUBAI. "C, Si, Ge AND Sn SURFACE DOPING OF WURTZITE AlN NANOCRYSTALS: Ab INITIO STUDY USING WURTZOIDS STRUCTURES." Surface Review and Letters 25, no. 07 (2018): 1950015. http://dx.doi.org/10.1142/s0218625x1950015x.

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Wurtzite nanostructures have been recently described using molecular building blocks called wurtzoids. These wurtzoids are utilized in the present work to describe aluminum mononitride (AlN) nanostructures including its surface doping with group IV elements i.e. C Si, Ge and Sn. Calculations are performed for bare, and hydrogen surface passivated wurtzoids. Results show that hydrogen-passivated (HP) AlN-wurtzoids have energy gaps that are very near to the experimental bulk AlN. Longitudinal optical (LO) vibrational frequencies are also very near to bulk experimental value with blue and red fre

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17

Sissa, Cristina, Francesca Delchiaro, Francesco Di Maiolo, Francesca Terenziani, and Anna Painelli. "Vibrational coherences in charge-transfer dyes: A non-adiabatic picture." Journal of Chemical Physics 141, no. 16 (2014): 164317. http://dx.doi.org/10.1063/1.4898710.

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18

Zobel, J. Patrick, Juan J. Nogueira, and Leticia González. "Quenching of Charge Transfer in Nitrobenzene Induced by Vibrational Motion." Journal of Physical Chemistry Letters 6, no. 15 (2015): 3006–11. http://dx.doi.org/10.1021/acs.jpclett.5b00990.

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19

Cáceres, J. O., J. T. López, and A. G. Ureña. "Experimental evidence of vibrational selectivity in surface charge-transfer reactions." Surface Science 482-485 (June 2001): 562–67. http://dx.doi.org/10.1016/s0039-6028(00)01071-2.

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20

Kuok, M. H., and S. H. Tang. "Vibrational modes of the anthracene—tetrachlorophthalic anhydride charge-transfer complex." Spectrochimica Acta Part A: Molecular Spectroscopy 42, no. 4 (1986): 515–18. http://dx.doi.org/10.1016/0584-8539(86)80047-2.

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21

Jeon, Kooknam, Myungsam Jen, Sebok Lee, Taehyung Jang, and Yoonsoo Pang. "Intramolecular Charge Transfer of 1-Aminoanthraquinone and Ultrafast Solvation Dynamics of Dimethylsulfoxide." International Journal of Molecular Sciences 22, no. 21 (2021): 11926. http://dx.doi.org/10.3390/ijms222111926.

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The intramolecular charge transfer (ICT) of 1-aminoanthraquinone (AAQ) in the excited state strongly depends on its solvent properties, and the twisted geometry of its amino group has been recommended for the twisted ICT (TICT) state by recent theoretical works. We report the transient Raman spectra of AAQ in a dimethylsulfoxide (DMSO) solution by femtosecond stimulated Raman spectroscopy to provide clear experimental evidence for the TICT state of AAQ. The ultrafast (~110 fs) TICT dynamics of AAQ were observed from the major vibrational modes of AAQ including the νC-N + δCH and νC=O modes. Th

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22

Jeyavijayan, S., and Palani Murugan. "Structural, Vibrational, Electronic and Optical Properties of 3-methoxy-2,4,5-trifluorobenzoic Acid Using DFT Calculations." Oriental Journal Of Chemistry 36, no. 05 (2020): 825–33. http://dx.doi.org/10.13005/ojc/360505.

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The molecular vibrations of 3-methoxy-2,4,5-trifluorobenzoic acid (MFBA) were studied by recording the FTIR and FT-Raman spectra and the vibrational frequencies have been compared with the DFT-B3LYP calculations. The optimized structural characteristics of the molecule have been studied by both calculated and experimental data. NBO analyses and the LUMO-HOMO energy gap of the molecule shows the intramolecular charge transfer interaction. Further, the nonlinear optical properties of MFBA have been investigated from the calculated values of first hyperpolarizability and total dipolemoment. The e

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23

Truong, K. D., A. D. Bandrauk, J. ZAUHAR, and C. Carlose. "Vibrational spectra of two new organic semiconductors: tetrathiafulvalene (TTF) and tetramethyltetraselenafulvalene (TMTSF) salts of paranitrophenylmalononitrile (PNMA)." Canadian Journal of Chemistry 69, no. 5 (1991): 901–7. http://dx.doi.org/10.1139/v91-132.

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Two new complexes of stoichiometry 2:1 are reported for the donors tetrathiafulvalene (TTF) and tetramethyltetraselenafulvalene (TMTSF) with the acceptor paranitrophenylmalononitrile (PNPMA). Both compounds are semiconductors with a resistivity of about 4 × 10−4 Ω m for (TMTSF)2PNPMA and 0.58 Ω m for (TTF)2PNPMA. The larger conductivity of the first complex can be attributed to the disorder of the PNPMA anions. Vibrational spectra were obtained by FTIR and Raman spectroscopy, in order to determine the degree of charge transfer in these systems. Both complexes have the electron distribution (D+

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24

Ferraro, John R., Hau H. Wang, John Ryan, and Jack M. Williams. "FT-IR Micro-Spectroscopic Studies of Several Charge-Transfer Organic Electrical Conductors." Applied Spectroscopy 41, no. 8 (1987): 1377–82. http://dx.doi.org/10.1366/0003702874447347.

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A series of infrared reflectance measurements using FT-IR Micro methods were conducted on bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF or “ET”) and bis(propylenedithio)tetrathiafulvalene (BPDT or “PT”) salts of the type (ET)2 X, where X = I3, AuCl2−, AuBr2−, AuI2−, I2Br−, IBr2, ICl2, ReO4−, ClO4−, and [Formula: see text]; and (PT)2 X, where X = I3−, IBr2−, I2Br−, and ICl2−. The technique is useful for characterizing, at room temperature, differences between β-, β′- and α′-type structures vs. α-structures. The β-, β′-, and α′-type structures show a vibrational feature at ∼1280 cm−1 which has

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25

Slanger, Tom G. "Vibrational excitation in." Canadian Journal of Physics 64, no. 12 (1986): 1657–63. http://dx.doi.org/10.1139/p86-289.

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Excitation processes for [Formula: see text] in aurorae, in the nightglow, and in laboratory sources are discussed. It is shown that the observed vibrational distribution in aurorae is consistent with the [Formula: see text] + NO charge-transfer mechanism. Arguments are presented for the case that quenching of O2(b) in vibrational levels above ν′ = 1 is rapid, and that therefore the auroral source is much larger than previously supposed. It is suggested that oxygen atoms are an efficient quencher for O2(b) levels above ν′ = 1.

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26

Thomas, Alan K., Benjamin D. Datko, and John K. Grey. "Charge Transfer Doping of Conjugated Polymers with Large Vibrational Activities: Insights into the Regime of Partial Charge Transfer." Journal of Physical Chemistry C 124, no. 3 (2019): 2137–45. http://dx.doi.org/10.1021/acs.jpcc.9b09249.

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27

Courtney, Trevor L., Zachary W. Fox, Laura Estergreen, and Munira Khalil. "Measuring Coherently Coupled Intramolecular Vibrational and Charge-Transfer Dynamics with Two-Dimensional Vibrational–Electronic Spectroscopy." Journal of Physical Chemistry Letters 6, no. 7 (2015): 1286–92. http://dx.doi.org/10.1021/acs.jpclett.5b00356.

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28

Tvingstedt, Kristofer, Johannes Benduhn, and Koen Vandewal. "Temperature dependence of the spectral line-width of charge-transfer state emission in organic solar cells; static vs. dynamic disorder." Materials Horizons 7, no. 7 (2020): 1888–900. http://dx.doi.org/10.1039/d0mh00385a.

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29

Ray, Jyotirmoy, and Sai G. Ramesh. "Excited-state proton transfer in a 2-aminopyridine dimer: a surface hopping study." Physical Chemistry Chemical Physics 24, no. 12 (2022): 7274–92. http://dx.doi.org/10.1039/d1cp05517h.

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The role of a charge transfer state and NH bond vibrational excitation on the excited state intermolecular proton transfer in the 2-aminopyridine dimer is studied using the fewest-switches surface hopping method at the XMS-CASPT2 and TDDFT levels.

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30

Lee, Sebok, Myungsam Jen, and Yoonsoo Pang. "Twisted Intramolecular Charge Transfer State of a “Push-Pull” Emitter." International Journal of Molecular Sciences 21, no. 21 (2020): 7999. http://dx.doi.org/10.3390/ijms21217999.

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The excited state Raman spectra of 4-dicyanomethylene-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran (DCM) in the locally-excited (LE) and the intramolecular charge transfer (ICT) states have been separately measured by time-resolved stimulated Raman spectroscopy. In a polar dimethylsulfoxide solution, the ultrafast ICT of DCM with a time constant of 1.0 ps was observed in addition to the vibrational relaxation in the ICT state of 4–7 ps. On the other hand, the energy of the ICT state of DCM becomes higher than that of the LE state in a less polar chloroform solution, where the initially-photoexc

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31

Cheng, Dahai, Jiuchuang Yuan, and Maodu Chen. "Non-Born–Oppenheimer stereodynamics study for the D+ + H2 (v, j = 0) reaction using coherent switching with decay of mixing method." Canadian Journal of Chemistry 93, no. 7 (2015): 764–68. http://dx.doi.org/10.1139/cjc-2015-0031.

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A non-Born–Oppenheimer (BO) investigation using coherent switching with decay of mixing method is carried out for both reactive non-charge transfer and charge transfer channels of reaction D+ + H2 (v, j = 0). For the non-charge transfer channel, it is found that the non-BO effect has a small influence on the differential cross section, but it has a large impact on the rotational polarization of the HD product, which is reflected by the joint distribution P(θr, ϕr). And it is also found that the polarization of the charge transfer products shows a quite different form. The rotational polarizati

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32

Ye, Shuji, Junjun Tan, Kangzhen Tian, Chuanzhao Li, Jiahui Zhang, and Yi Luo. "Directly monitoring the active sites of charge transfer in heterocycles in situ and in real time." Chemical Communications 55, no. 4 (2019): 541–44. http://dx.doi.org/10.1039/c8cc08452a.

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Coherent degenerate infrared-infrared-visible sum frequency generation vibrational spectroscopy provides a powerful label-free probe for identifying the vibrational modes that are coupled through the electronic states in situ and in real time.

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33

Zhang, Ziyu, Hang Cheng, Li Zhang, et al. "High-Temperature Vibrational Analysis of the Lithium Mica: 2M2 Lepidolite." Minerals 13, no. 9 (2023): 1112. http://dx.doi.org/10.3390/min13091112.

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Lepidolite is widespread in the upper crust and can be used as a lithium ore. In the present study, in-situ high-temperature Raman and infrared spectroscopic measurements of natural Rb/Cs-free 2M2 lepidolite in pegmatite were conducted up to 700 °C for investigating the thermal response of lepidolite. In addition, single-crystal X-ray diffraction and electron microprobe analyses were also conducted to determine the polytype and composition of the lepidolite sample. The results show that (1) in the temperature range from 25 to 700 °C, the crystal structure of 2M2 lepidolite is not expected to u

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34

Gharti Magar, Pima, Roshika Uprety, and Krishna Bahadur Rai. "First-Principles DFT Study of the Molecular Structure, Spectroscopic Analysis, Electronic Structures and Thermodynamic Properties of Ascorbic Acid." Himalayan Physics 11 (May 31, 2024): 28–40. http://dx.doi.org/10.3126/hp.v11i1.65329.

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We present an analysis of the optimized geometry, vibrational spectroscopic frequencies, highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy gap, global reactivity parameters, molecular electrostatic potential (MEP), electrostatic potential (ESP), electronic density (ED), density of states (DOS), Mulliken charges and thermodynamic properties of Ascorbic acid (C6H8O6) using the density functional theory (DFT) with B3LYP/6-311G(d,p) basis set. Various vibrational modes including C-C and C-H stretching vibrations were observed and identified. Along with

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35

Pullanchery, Saranya, Sergey Kulik, Benjamin Rehl, Ali Hassanali, and Sylvie Roke. "Charge transfer across C–H⋅⋅⋅O hydrogen bonds stabilizes oil droplets in water." Science 374, no. 6573 (2021): 1366–70. http://dx.doi.org/10.1126/science.abj3007.

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Why oil and water do not mix It is well known that oil forms stable droplets that carry a negative electrophoretic mobility (and negative charge) upon dispersing in water. However, the underlying mechanism is a long-debated topic. Using vibrational sum-frequency scattering spectroscopy, Pullanchery et al . recorded the interfacial vibrational spectrum in the oxygen–deuterium and carbon–hydrogen stretching regions of a hexadecane–water interface. Their spectral analysis accompanied by molecular dynamics simulations showed that water molecules form “improper” interfacial hydrogen bonds with alky

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36

Chiu, Ying‐Nan, Bretislav Friedrich, Wolfram Maring, Gereon Niedner, Martin Noll, and J. Peter Toennies. "Charge transfer and structured vibrational distributions in H++CH4low‐energy collisions." Journal of Chemical Physics 88, no. 11 (1988): 6814–30. http://dx.doi.org/10.1063/1.454380.

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37

Chaturvedi, Deepika, Vineet Gupta, Poonam Tandon, Anamika Sharma, C. Baraldi, and M. C. Gamberini. "Intermolecular charge transfer and vibrational analysis of hydrogen bonding in acetazolamide." Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 99 (December 2012): 150–59. http://dx.doi.org/10.1016/j.saa.2012.08.063.

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38

Osotov, M. O., V. V. Bruevich, and D. Yu Paraschuk. "Thermal vibrational disorder of a conjugated polymer in charge-transfer complex." Journal of Chemical Physics 131, no. 9 (2009): 094906. http://dx.doi.org/10.1063/1.3216106.

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39

Zhao, Lefa, and Xijiao Mu. "Visualization of vibrational-resolution charge transfer enhanced resonance Raman scattering spectroscopy." Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 229 (March 2020): 117945. http://dx.doi.org/10.1016/j.saa.2019.117945.

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40

Meneghetti, M., R. Bozio, and C. Pecile. "Characterization of TCNQF4 charge transfer complexes through vibrational and vibronic studies." Synthetic Metals 19, no. 1-3 (1987): 451–56. http://dx.doi.org/10.1016/0379-6779(87)90396-1.

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41

Hernández, V., J. Casado, F. Effenberger, and J. T. López Navarrete. "Intramolecular charge transfer in push-pull oligothiophenes from their vibrational spectra." Synthetic Metals 119, no. 1-3 (2001): 551–52. http://dx.doi.org/10.1016/s0379-6779(00)01097-3.

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42

Sizun, M., D. Grimbert, V. Sidis, and M. Baer. "Vibrational state‐to‐state calculations of H++O2 charge transfer collisions." Journal of Chemical Physics 96, no. 1 (1992): 307–25. http://dx.doi.org/10.1063/1.462519.

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43

Furuhashi, O., T. Kinugawa, S. Masuda, C. Yamada, and S. Ohtani. "Double charge transfer spectroscopy for N22+ and CO2+ at vibrational resolution." Chemical Physics Letters 337, no. 1-3 (2001): 97–102. http://dx.doi.org/10.1016/s0009-2614(01)00173-7.

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44

Furuhashi, Osamu, Tohru Kinugawa, Suomi Masuda, Chikashi Yamada, and Shunsuke Ohtani. "Double charge transfer spectroscopy of acetylene dication C2H22+ at vibrational resolution." Chemical Physics Letters 342, no. 5-6 (2001): 625–30. http://dx.doi.org/10.1016/s0009-2614(01)00636-4.

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45

Kuznetsov, Alexander M. "Inertial and inertialess vibrational modes in charge transfer: a simple model." Chemical Physics 166, no. 3 (1992): 303–10. http://dx.doi.org/10.1016/0301-0104(92)80090-i.

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Nardi, Alessandro Nicola, Marco D’Abramo, and Andrea Amadei. "Modeling Charge Transfer Reactions by Hopping between Electronic Ground State Minima: Application to Hole Transfer between DNA Bases." Molecules 27, no. 21 (2022): 7408. http://dx.doi.org/10.3390/molecules27217408.

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Abstract:

In this paper, we extend the previously described general model for charge transfer reactions, introducing specific changes to treat the hopping between energy minima of the electronic ground state (i.e., transitions between the corresponding vibrational ground states). We applied the theoretical–computational model to the charge transfer reactions in DNA molecules which still represent a challenge for a rational full understanding of their mechanism. Results show that the presented model can provide a valid, relatively simple, approach to quantitatively study such reactions shedding light on

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Solaichamy, R., and J. Karpagam. "Structural and Vibrational Studies (FT-IR, FT-Raman) of Voglibose Using DFT Calculation." International Letters of Chemistry, Physics and Astronomy 64 (February 2016): 45–62. http://dx.doi.org/10.18052/www.scipress.com/ilcpa.64.45.

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In the present study, we report on the Molecular structure and infrared (IR) and FT-Raman studies of Voglibose (VGB) as well as by calculations based on the density functional theory (DFT) approach; utilizing B3LYP/6-31G(d,p) basis set. The targeted interpretation of the vibrational spectra intended to the basis of calculated potential energy distribution matrix (PED) utilizing VEDA4 program. Stability of the molecule arising from hyperconjugative interactions and charge delocalization was studied using natural bond orbital (NBO) analysis. The results show that change in electron density in th

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Solaichamy, R., and J. Karpagam. "Structural and Vibrational Studies (FT-IR, FT-Raman) of Voglibose Using DFT Calculation." International Letters of Chemistry, Physics and Astronomy 64 (February 15, 2016): 45–62. http://dx.doi.org/10.56431/p-7kjo7a.

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Abstract:

In the present study, we report on the Molecular structure and infrared (IR) and FT-Raman studies of Voglibose (VGB) as well as by calculations based on the density functional theory (DFT) approach; utilizing B3LYP/6-31G(d,p) basis set. The targeted interpretation of the vibrational spectra intended to the basis of calculated potential energy distribution matrix (PED) utilizing VEDA4 program. Stability of the molecule arising from hyperconjugative interactions and charge delocalization was studied using natural bond orbital (NBO) analysis. The results show that change in electron density in th

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Jen, Myungsam, Sebok Lee, Gisang Lee, Daedu Lee, and Yoonsoo Pang. "Intramolecular Charge Transfer of Curcumin and Solvation Dynamics of DMSO Probed by Time-Resolved Raman Spectroscopy." International Journal of Molecular Sciences 23, no. 3 (2022): 1727. http://dx.doi.org/10.3390/ijms23031727.

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Intramolecular charge transfer (ICT) of curcumin in dimethyl sulfoxide (DMSO) solution in the excited state was investigated by femtosecond electronic and vibrational spectroscopy. Excited-state Raman spectra of curcumin in the locally-excited and charge-transferred (CT) state of the S1 excited state were separated due to high temporal (<50 fs) and spectral (<10 cm−1) resolutions of femtosecond stimulated Raman spectroscopy. The ultrafast (0.6–0.8 ps) ICT and subsequent vibrational relaxation (6–9 ps) in the CT state were ubiquitously observed in the ground- and excited-state vibrational

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Lemaire, j., R. Marx, and F. Morlet Savary. "Laser Induced Fluorescence of N2+(X,v") Resulting From the Thermal Energy Dissociative Charge Transfer Reaction He++N2O→N2++O+He." Laser Chemistry 10, no. 1 (1989): 1–15. http://dx.doi.org/10.1155/1989/57902.

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The vibrational (and rotational) energy distribution of N2+(X) ions produced in the He+/N2O charge transfer reaction at thermal energy has been measured by laser induced fluorescence using an Ion Cyclotron Resonance cell to store the ions. Vibrational levels up to V"=5 have been observed.The relaxation processes experienced by the N2+ (X) ions before laser detection are discussed.

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