FT infrared spectra of FCN from 1200 to 1800 cm(-1) and from 2800 to 7000 cm(-1) and global rovibrational analysis of the main isotopomers

Citation
A. Farkhsi et al., FT infrared spectra of FCN from 1200 to 1800 cm(-1) and from 2800 to 7000 cm(-1) and global rovibrational analysis of the main isotopomers, J MOL SPECT, 201(1), 2000, pp. 36-55
Citations number
26
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
JOURNAL OF MOLECULAR SPECTROSCOPY
ISSN journal
00222852 → ACNP
Volume
201
Issue
1
Year of publication
2000
Pages
36 - 55
Database
ISI
SICI code
0022-2852(200005)201:1<36:FISOFF>2.0.ZU;2-8
Abstract
We measured the FT spectrum of natural FCN from 1200 to 1800 cm-l and from 2800 to 1000 cm(-1) with a near Doppler resolution and a line-position accu racy between 1 and 8 x 10(-4) cm(-1). Lines were assigned to 91 different b ands (75 of (FCN)-F-19-C-12-N-14, 11 of (FCN)-F-19-C-13-N-14, and 5 of (FCN )-F-19-C-12-N-15), Of which no more than five had been previously reported at lower resolution. From band-by-band analyses we deduced effective state parameters. As those results complete the study of the Fourier transform sp ectra of natural cyanogen fluoride from 1200 to 7000 cm(-1), global rovibra tional analyses of (FCN)-F-19-C-12-N-14, (FCN)-F-19-C-13-N-14, and (FCN)-F- 19-C-12-N-15 have been performed on the basis of all the available experime ntal data about their rovibrational energies, We have so determined sets of about 100 molecular parameters for each isotopomer, and a statistical agre ement was obtained. A labeling of the vibrational states is proposed on the basis of the ei,eigenvector coefficients. (C) 2000 Academic Press Key Word s: FCN; cyanogen fluoride, infrared spectra; FT, rovibrational analysis; gl obal analysis.