Sign ambiguity in dipole moment derivatives of Br2CO |
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Authors: | P.L. Prasad Surjit Singh |
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Affiliation: | Structural Chemistry Group, Department of Chemistry, Indian Institute of Technology, Madras-600036, India |
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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 CO 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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