𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density Functional Study of Excited Charge Transfer State Formation in 4-( N , N -Dimethylamino)benzonitrile

✍ Scribed by Parusel, Andreas B. J.; Köhler, Gottfried; Grimme, Stefan


Book ID
125996898
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
113 KB
Volume
102
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Time-dependent density functional theory
✍ 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·

4-(N,N-Dimethylamino)benzonitrile solvat
✍ T. Kobayashi; M. Futakami; O. Kajimoto 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 372 KB

Van der Waals complexes consisting of 4-( N-N-dimethylamino)benzonitrile and a polar molecule such as Hz0 and CFsH were produced in a free jet. The laser-induced fluorescence spectra of their O-O bands showed blue-shifts in contrast to the van der Waals complexes with rare-gas atoms. Their emission

Picosecond dynamics of the twisted intra
✍ O. Kajimoto; T. Nayuki; T. Kobayashi 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 325 KB

The rate of formation of the intramolecular charge-transfer state of 4-(N,N-dimethylamino)benzonitrile (DMABN) has been determined in supercritical CFsH using a fast single-photon counting technique. The rate constant increases rapidly with increasing CFIH density, indicating the importance of the p