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Sign ambiguity in dipole moment derivatives of Br2CO
Authors:P.L. Prasad  Surjit Singh
Affiliation:Structural Chemistry Group, Department of Chemistry, Indian Institute of Technology, Madras-600036, India
Abstract:Signs of the dipole moment derivatives, ?px/?S4 and ?px/?S5 where px is the dipole moment vector along an axis perpendicular to the CO bond in the plane of the molecule and Sj are the symmetry coordinates for the B1 vibrations of Br2CO have been re-evaluated from the reported ?p/?Qi values (p being the dipole moment of the molecule and Qi the normal coordinates) and the L matrix elements. The new set of dipole moment derivatives fits well with similar parameters for Cl2CO and F2CO.
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