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Study of the intramolecular charge-transfer (ICT) process in 4-dimethylamino-4′- nitrostilbene by picosecond time-resolved CARS

✍ Scribed by J. Oberlé; E. Abraham; G. Jonusauskas; C. Rullière

Publisher: John Wiley and Sons
Year: 2000
Tongue: English
Weight: 139 KB
Volume: 31
Category: Article
ISSN: 0377-0486
DOI: 10.1002/(sici)1097-4555(200004)31:4<311::aid-jrs544>3.0.co;2-8

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✦ Synopsis

The intramolecular charge-transfer (ICT) process of 4-dimethylamino-4 -nitrostilbene (DNS) in solution was studied by pump-probe and transient CARS experiments with a 1 ps time resolution. Whereas pump-probe experiments give good evidence for the formation of an ICT state in polar solvents, CARS experiments support structural changes associated with the ICT process. In acetonitrile, a 37 cm -1 downshift of the NO 2 stretching mode can be explained by a structural change located on the acceptor NO 2 group and assigned to conformational relaxation of the ICT state. In toluene, such behavior is not observed correlated with the absence of ICT state stabilization in non-polar solvents.

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Time-dependent density functional theory

Time-dependent density functional theory study on hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile in methanol

✍ Guang-Jiu Zhao; Ke-Li Han 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 380 KB

## Abstract The time‐dependent density functional theory (TDDFT) method was carried out to investigate the hydrogen‐bonded intramolecular charge‐transfer (ICT) excited state of 4‐dimethylaminobenzonitrile (DMABN) in methanol (MeOH) solvent. We demonstrated that the intermolecular hydrogen bond C≡N·