Vibrational spectroscopy of hydroxy-heterobiaryls. IR-active modes of [2,2′-bipyridyl]-3,3′-diol

Paweł Borowicz, Andrzej Leś, Ludwik Adamowicz, Jacek Waluk

Research output: Contribution to journalArticle

5 Scopus citations

Abstract

All observed IR-active vibrational modes of [2,2′-bipyridyl]-3,3′-diol (BP(OH)2) and its two isotopomers, BP(OD)2 and BP(OH)2-d6 have been assigned on the basis of the comparison of experimental results with predictions obtained from DFT (B3LYP/6-31G(d, p)) calculations. The sensitivity of the vibrational transitions to the environment has been studied by comparing the spectra recorded in vapour, different solutions, KBr pellets, and cryogenic argon matrices. The results may be useful for the quantum control of excited state single or double proton transfer in BP(OH)2.

Original languageEnglish (US)
Pages (from-to)143-148
Number of pages6
JournalPhotochemical and Photobiological Sciences
Volume4
Issue number1
DOIs
StatePublished - Dec 22 2005

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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