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
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.