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The Role of the Ratio of CIS Carbonyl Interaction Constants in the Force Constant Calculation and Vibrational Assignments for Some Ligand Substituted Metal Carbonyls
Author(s) -
Lin K. C.
Publication year - 1980
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.198000014
Subject(s) - chemistry , metal carbonyl , force constant , computational chemistry , ligand (biochemistry) , metal , series (stratigraphy) , molecule , organic chemistry , biochemistry , receptor , paleontology , biology
An empirical linear relationship between the ratio of cis interaction constants and the ratio of stretching force constants was derived and a method for determining the ratio of cis interaction constants for ligand substituted metal carbonyls was proposed. Results of the present work would enable us to assess the validity of the Cotton‐Kraihanzel approximation of k = k c and to evaluate the correctness and the reliability of Some anomalous carbonyl force constants evaluated with other methods. The reliable correlation of the ratio of stretching force constants with the ratio of interaction constants would be helpful to clarify some ambiguous vibrational assignments made previously for the carbonyl bands of metal carbonyls, or to analyze isotope spectra of carbonyl bands for other related molecules in the same series.