Complexes of dihydroxybenzenes with carbon monoxide by DFT calculations and FT-IR matrix spectroscopy

Authors
Pieretti, A Ramondo, F Bencivenni, L Spoliti, M
Citation
A. Pieretti et al., Complexes of dihydroxybenzenes with carbon monoxide by DFT calculations and FT-IR matrix spectroscopy, J MOL STRUC, 560(1-3), 2001, pp. 315-326
Citations number
32
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE
ISSN journal
00222860 → ACNP
Volume
560
Issue
1-3
Year of publication
2001
Pages
315 - 326
Database
ISI
SICI code
0022-2860(20010129)560:1-3<315:CODWCM>2.0.ZU;2-V
Abstract
Weakly bound complexes of dihydroxybenzenes and nitrophenols with carbon mo noxide were the objects of theoretical studies based on the Becke-Lee-Parr density functional. Stability and vibrational spectra of all stable bimolec ular complexes were determined and the theoretical results were integrated by matrix isolation FT-DR spectroscopy measurements. (C) 2001 Elsevier Scie nce B.V. All rights reserved.