VIBRO-CONFORMATIONAL BEHAVIOR AND NORMAL-COORDINATE ANALYSIS OF FLUOROCARBONYL ISOCYANATE, FC(O)NCO

Authors
GOBBATO K DELLAVEDOVA CO MACK HG
Citation
K. Gobbato et al., VIBRO-CONFORMATIONAL BEHAVIOR AND NORMAL-COORDINATE ANALYSIS OF FLUOROCARBONYL ISOCYANATE, FC(O)NCO, Spectrochimica acta. Part A: Molecular spectroscopy, 50(5), 1994, pp. 897-902
Citations number
13
Categorie Soggetti
Spectroscopy
Journal title
Spectrochimica acta. Part A: Molecular spectroscopy → ACNP
ISSN journal
05848539
Volume
50
Issue
5
Year of publication
1994
Pages
897 - 902
Database
ISI
SICI code
0584-8539(1994)50:5<897:VBANAO>2.0.ZU;2-H
Abstract
Vibrational data of vapour, liquid and matrix-isolated fluorocarbonyl isocyanate, FC(O)NCO, were investigated. A subsequent normal coordinat e analysis was performed for the A' species of the predominant planar cis conformer (C=O double bond cis with respect to the vicinal N=C dou ble bond). The following internal force constants were derived: f(C=O) = 12.88 mdyn angstrom-1, f(C-F) = 6.20 mdyn angstrom-1 and F(C-N) = 4 .42 mdyn angstrom-1.