Semi-empirical infrared spectra simulations of benzidine and its metal chloride complexes
作者： C. Topacli , A. Topacli
DOI: 10.1016/S0022-2860(03)00323-5
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摘要: Abstract The semi-empirical PM3 method is used to simulate the infrared spectra of title compounds. It has been restrained that benzidine a planar structure belonging symmetry point group D 2 h in complexes. found simulated IR are consistent with proposed structures derived from FTIR and Raman spectra. band assignments on basis three-dimensional dynamic image vibrations corresponding each normal mode have also given. Coordination effects internal modes benzidine, particularly NH close agreement observed results.
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