The planar harmonic force field for 1,2-carbodicianocyclobuten-3,4-dione dianion

The vibrational spectrum of 1,2-carbodicianocyclobuten-3,4-dione dianion has been analyzed utilizing force constants transferred from its main molecular fragments. Successive refinements of such force field has allowed the evaluation of the planar frequencies with the average error of 15 cm −1.

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Bibliographic Details
Published in:Journal of molecular structure 1990-03, Vol.218, p.303-308
Main Authors: Lunelli, B., Giorgini, M.G.
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Exact sciences and technology
Molecular properties and interactions with photons
Physics
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Summary:The vibrational spectrum of 1,2-carbodicianocyclobuten-3,4-dione dianion has been analyzed utilizing force constants transferred from its main molecular fragments. Successive refinements of such force field has allowed the evaluation of the planar frequencies with the average error of 15 cm −1.
ISSN:0022-2860
1872-8014
DOI:10.1016/0022-2860(90)80284-Q