A. Fujimoto et al., RAMAN-SPECTROSCOPIC STUDY OF 1-METHYL-2(1H)-PYRIDINIMINE, THE DEUTERATED ANALOG, AND 1-METHYL-2(1H)-PYRIDINONE, SPECT ACT A, 54(12), 1998, pp. 1779-1792
Citations number
17
Categorie Soggetti
Spectroscopy
Journal title
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Band assignments of the Raman spectra of 1-methyl-2(1H)pyridinimine (1
-MPI), its deuterated analog (1-MPI-d), and 1-methyl-2(IH)pyridinone (
1-MPD) in CCl4 and those of the neat liquid have been carried out on t
he basis of the previously reported IR spectrum, normal coordinate tre
atment of vibrational frequencies and intensities of I-MPI and 1-MPI-d
The observed Raman spectra of these compounds are in fairly good agre
ement with the calculated vibrational frequencies. The Raman band at a
bout 1650 cm(-1) for 1-MPI (and I-MPI-d) and 1-MPD, which is assigned
to stretching-modes of the C=N and ring C=C: bonds and to stretching m
odes of the C=O and ring C=C bonds, respectively, becomes almost Raman
-inactive, even though these bands are infrared-active. The band of lo
west frequency in the observed Raman spectra of I-MPI, I-MPI-d, and 1-
MPD appears at about 100 cm(-1). It is assigned to the torsional motio
n of the CR, group. In the neat liquid, 1-MPI and 1-MPI-d form an inte
rmolecular hydrogen bond between the imino groups. (C) 1998 Elsevier S
cience B.V. All rights reserved.