R. K. Goel, M. L. Agarwal
1982
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Influential Citations
13
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Journal
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Abstract
Abstract The i.r. absorption spectra of 3- and 4- methoxy benzonitriles have been recorded on a Perkin—Elmer 521 spectrophotometer, while the Raman spectrum of 4-methoxybenzonitrile was recorded on CODERG Raman spectrometer T800 triple monochromator. The near ultraviolet absorption spectra of both the molecules in vapour phase have been recorded on Medium Quartz Hilger spectrograph and that of 4-methoxybenzonitrile on DK-2A ratio recording spectrophotometer also. The assignment of fundamental frequencies to various modes of vibration have been proposed and on the basis of free internal rotation and assigned vibrational frequencies, the thermodynamic functions of the molecules have been computed on a VAX-11/780 computer. The analysis of the electronic spectra has been given in terms of fundamentals, their combinations and overtones. 4-Methoxy benzonitrile has exhibited two band systems corresponding to 1 A 1 g - 1 B 2 u (2600 A) and 1 A 1 g - 1 B 1 u (2100 A) system of benzene, while 3-methoxybenzonitrile exhibited only the former system. The red shift of 0,0 bands has been discussed.