Theoretical vibrational spectra of acetylene dimer: “T” and cyclic configurations

The infrared vibrational spectrum of the acetylene dimer in its two stable configurations is reported. The relative stability of the two dimers is discussed along with a detailed analysis of the vibrational modes, the aim of being to clarify some important points emerging from recent experimental wo...

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Bibliographic Details
Published in:Journal of molecular structure. Theochem 1989, Vol.201 (1-2), p.69-74
Main Authors: Craw, J.S., de Almeida, W.B., Hinchliffe, A.
Format: Article
Language:English
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Summary:The infrared vibrational spectrum of the acetylene dimer in its two stable configurations is reported. The relative stability of the two dimers is discussed along with a detailed analysis of the vibrational modes, the aim of being to clarify some important points emerging from recent experimental work on this dimer, and to try to help in the assignment of various spectroscopic peaks to corresponding modes.
ISSN:0166-1280
1872-7999
DOI:10.1016/0166-1280(89)87063-0