Vibrational analysis of mononitro substituted benzamides, benzaldehydes and toluenes. Part II. Transferability of valence force constants.
A zero-order normal coordinate analysis of both the in-plane and out-of-plane vibrations was made for p-, m- and o-methylbenzaldehydes; 3,5-dichloro-p-anisamide; 3,5-dibromo-p-anisamide; 4-chloro-3-nitrotoluene; 2-bromo-4-nitrotoluene and 2-bromo-5-nitrotoluene by transferring the force constants obtained before hand. The observed and calculated frequencies agreed reasonably well demonstrating the transferability of the force field. On the basis of calculated potential energy distributions and eigen vectors, several assignments suggested by earlier workers have been revised.
Qayyum
Md
M
Department of Physics, Kakatiya University, Vidyaranyapuri, Warangal 506 009, India.
Venkatram Reddy
B
B
Ramana Rao
G
G
D001547:Benzaldehydes / Q000737:chemistry*; D001549:Benzamides / Q000737:chemistry*; D002244:Carbon / Q000737:chemistry*; D006859:Hydrogen / Q000737:chemistry; D009584:Nitrogen / Q000737:chemistry*; D010100:Oxygen / Q000737:chemistry; D013053:Spectrophotometry / Q000379:methods*; D013055:Spectrophotometry, Infrared / Q000379:methods*; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D013059:Spectrum Analysis, Raman / Q000379:methods*; D014050:Toluene / Q000737:chemistry*
D001547:Benzaldehydes; D001549:Benzamides; D014050:Toluene; D002244:Carbon; D006859:Hydrogen; D009584:Nitrogen; D010100:Oxygen