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Ab initio predictions on the rotational spectra of carbon-chain carbene moleculesWe predict rotational constants for the carbon-chain molecules H2C=(C=)nC, n=3-8, using ab initio computations, observed values for the earlier members in the series, H2CCC and H2CCCC with n=1 and 2, and empirical geometry corrections derived from comparison of computation and experiment on related molecules. H2CCC and H2CCCC have already been observed by radioastronomy; higher members in the series, because of their large dipole moments, which we have calculated, are candidates for astronomical searches. Our predictions can guide searches and assist in both astronomical and laboratory detection.
Document ID
20040090047
Document Type
Reprint (Version printed in journal)
Authors
Maluendes, S. A.
(Molecular Research Institute Palo Alto, CA 94304, United States)
McLean, A. D.
Loew, G. H.
Date Acquired
August 21, 2013
Publication Date
December 18, 1992
Publication Information
Publication: Chemical physics letters
Volume: 200
Issue: 5
ISSN: 0009-2614
Subject Category
Exobiology
Funding Number(s)
CONTRACT_GRANT: NAG2-16
Distribution Limits
Public
Copyright
Other
Keywords
NASA Discipline Number 52-10
Non-NASA Center
NASA Discipline Exobiology
NASA Program Exobiology

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