Azines, which closely resemble azobenzenes, have important applications in the field of nonlinear optics. NMR and IR spectroscopic study of some symmetric aryl azines has been undertaken with the aid of ab initio theoretical calculations. All data indicated that the structure of azine and substituted azines is the symmetric trans form.
SundiusT, MOLVIB. Calculation of Harmonic Force Fields and Vibrational Modes of Molecules, QCPE, QCMP 103, 1991.
15.
NMODES is a package developed in Prof. Umapathy's Laboratory, Department of IPC, I.I.Sc., Bangalore, which gives normal modes and potential energy distributions in internal coordinates. Since the program generates internal coordinate definitions and other necessary information automatically, Gaussian output file can be directly used as the input without any modifications. This package can be used to calculate isotopic frequencies and also to facilitate a visual inspection of the normal modes. NMODES can be run on IBM compatible personal computers as well as main frame computers.
16.
ChenG.S., AnthamattenM., BarnesC.L., and GlaserR., J. Org. Chem., 1994, 59, 4336.
17.
GlaserR., ChenG.S., and BarnesC.L., J. Org. Chem., 1993, 58, 7446.
18.
BarnesJ.K.C.L., and GlaserR., J. Chem. Soc. Perkin Trans II, 1995, 2311.
