scholarly journals Resonance Raman intensity analysis of the excited state proton transfer dynamics of 2-nitrophenol in the charge-transfer band absorption

2006 ◽  
Vol 125 (21) ◽  
pp. 214506 ◽  
Author(s):  
Ya-Qiong Wang ◽  
Hui-Gang Wang ◽  
Shu-Qiang Zhang ◽  
Ke-Mei Pei ◽  
Xuming Zheng ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Proton Transfer ◽  
Charge Transfer Band ◽  
Resonance Raman ◽  
Raman Intensity ◽  
Intensity Analysis ◽  
Excited State Proton Transfer ◽  
Band Absorption

Infrared absorption and resonance Raman scattering of photochromic triphenylformazans

1983 ◽  
Vol 61 (5) ◽  
pp. 809-816 ◽  
Author(s):  
J. W. Lewis ◽  
C. Sandorfy
Keyword(s):  
Excited State ◽  
Raman Scattering ◽  
Proton Transfer ◽  
Raman Spectra ◽  
Infrared Absorption ◽  
Resonance Raman ◽  
Tautomeric Equilibrium ◽  
Resonance Raman Scattering ◽  
Excited State Proton Transfer ◽  
Resonance Raman Spectra

The infrared and resonance Raman spectra of the two long-lived forms of triphenylformazan and several of its derivatives have been examined. The spectra of unsymmetrically 15N-labelled derivatives suggest that two tautomers exist for each of the two forms. This observation is confirmed by the spectra of 1-(p-halophenyl)-3,5-diphenylformazans. The spectra of the non-chelate forms of these latter compounds demonstrate that the position of the tautomeric equilibrium is influenced by the electron-attracting ability of the para-halo-substituent. A comparison of the resonance Raman spectra of the two forms leads to the conclusion that excited state proton transfer is the initial photoevent in the photochromism of the triphenylformazans.

Resonance Raman intensity analysis of a dicyanovinyl-azaadamantane: Mode-specific reorganization energies for charge-transfer and locally-excited states

1998 ◽  
Vol 109 (24) ◽  
pp. 10958-10969 ◽  
Author(s):  
Mark Lilichenko ◽  
Dietrich Tittelbach-Helmrich ◽  
Jan W. Verhoeven ◽  
Ian R. Gould ◽  
Anne B. Myers
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Resonance Raman ◽  
Raman Intensity ◽  
Intensity Analysis ◽  
Locally Excited ◽  
Reorganization Energies

Effects of intermolecular hydrogen bonding on the excited-state proton transfer properties of the cinnamonitrile–methanol complex

2013 ◽  
Vol 91 (3) ◽  
pp. 229-234 ◽  
Author(s):  
Dapeng Yang ◽  
Ruiquan Qi
Keyword(s):  
Hydrogen Bonding ◽  
Excited State ◽  
Charge Transfer ◽  
Proton Transfer ◽  
Density Functional ◽  
Dft Method ◽  
Electronic Energy ◽  
Intermolecular Hydrogen Bonding ◽  
Excited State Proton Transfer ◽  
Hydrogen Bonded

The time-dependent density functional theory (TD-DFT) method was used to study the excited-state proton transfer (ESPT) properties of the hydrogen-bonded cinnamonitrile (3TPAN)–methanol (MeOH) complex (3TPAN–MeOH). The intermolecular hydrogen bonds N1···H11 in both the ground state S0 and the excited state S1 were demonstrated by the optimized geometric structures of the hydrogen-bonded 3TPAN–MeOH complex. While in the excited state S3, a new hydrogen bond H11···O1 was formed after the ESPT took place from the hydrogen-bonded MeOH molecule to the 3TPAN moiety. It was demonstrated that the electronic transitions of the S1 states for both the 3TPAN monomer (including the S3 state) and the hydrogen-bonded 3TPAN–MeOH complex should be of a localized-excited (LE) nature on the 3TPAN molecule, while the S3 state of the hydrogen-bonded 3TPAN–MeOH complex should be of charge transfer (CT) character from the hydrogen-bonded MeOH molecule (through O1···H11) to the 3TPAN moiety. The S3-state proton transfer and charge transfer due to the intermolecular hydrogen-bonding interaction should be the reasons for the remarkable redshift (0.91 eV) of the S3-state electronic energy for the hydrogen-bonded 3TPAN–MeOH complex compared with that of the 3TPAN monomer.

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