Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 1997-10-15

Vibrational analysis of substituted benzonitriles. II. Transferability of force constants--the case of dicyanobenzenes.

A P Kumar, G R Rao

Index: Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 53A(12) , 2033-9, (1997)

Full Text: HTML

Abstract

A zero-order normal coordinate analysis was made for p-, m- and o-dicyanobenzenes and their deuterated isomers by transferring the force constants from Part I. The observed and calculated frequencies agree with an average error of 18.7 cm-1, demonstrating the transferability of the force field obtained in Part 1. On the basis of the calculated potential energy distributions and eigen vectors, several assignments suggested by earlier workers have been revised.

Related Compounds

  • Phthalonitrile

Related Articles:

Thermal degradation of polyester coating powders: 1,4-dicyanobenzene as an occupational marker compound.

1989-09-01

[Analyst 114(9) , 1009-12, (1989)]

First example of a hexadentate bicyclic phthalocyanine analogue containing a divalent metal center.

2013-12-21

[Dalton Trans. 42(47) , 16486-9, (2013)]

An estimation of the sublimation rate of o-phthalodinitrile and acrylamide during filter sampling.

1985-01-01

[Ind. Health 23(2) , 167-70, (1985)]

[Kinetic study on the in situ synthesis of nickle phthalocyanine in silica gel glass matrix by UV/Vis absorption spectra].

2009-01-01

[Guang Pu Xue Yu Guang Pu Fen Xi 29(1) , 207-10, (2009)]

More Articles...