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The normal coordinate analysis of porphin and its derivatives based on the solution of the inverse spectral problem for porphin and copper porphin ii. a valence force field for in plane vibrations of the copper porphin molecule

Gladkov, L.L.; Solovyov, K.N.

Spectrochimica Acta Part A Molecular Spectroscopy 41(12): 1443-1448

1985

The regularized least squares method and the Davidon-Fletcher-Powell method were used in combination to determine 28 Cu porphin force constants. The force constants obtained were tested through calculating normal vibrations of the Cu 1,3,5,7-tetramethylporphin molecule to show their agreement with experiment. The form of the modes of the molecules investigated is discussed.

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