A Determination of the Structure of the Intramolecular Charge Transfer State of 4-Dimethylaminobenzonitrile (DMABN) by Time-Resolved Resonance Raman Spectroscopy

Autor:	Anthony W. Parker, M. Towrie, David Phillips, C. Ma, Wai Ming Kwok, W. T. Toner, Pavel Matousek, Siva Umapathy
Rok vydání:	2001
Předmět:	Chemistry Resonance Raman spectroscopy Ab initio Resonance Molecular physics symbols.namesake Computational chemistry Picosecond Excited state Intramolecular force symbols Physical and Theoretical Chemistry Ground state Raman spectroscopy
Zdroj:	The Journal of Physical Chemistry A. 105:984-990
ISSN:	1520-5215 1089-5639
DOI:	10.1021/jp003705w
Popis:	Picosecond time-resolved resonance Raman spectra of the A (intramolecular charge transfer, ICT) state of DMABN, DMABN-d(6) and DMABN-N-15 have been obtained. The isotopic shifts identify the nu (s)(ph-N) mode as a band at 1281 cm(-1). The similar to 96 cm(-1) downshift of this mode from its ground state frequency rules out the electronic coupling PICT model and unequivocally supports the electronic decoupling TICT model. However, our results suggest some pyramidal character of the A state amino conformation.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::25b8cc080a4b45b432af58aedd93b2c5 https://doi.org/10.1021/jp003705w Zobrazit plný text záznamu