ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Following a high-level coupled cluster calculation, the rotational spectrum of the bent HC4N singlet carbene was detected in a supersonic molecular beam by Fourier transform microwave spectroscopy. The three rotational constants, the leading centrifugal distortion constants, and two nitrogen hyperfine coupling constants were determined to high accuracy. The rotational constants agree with those calculated ab initio to better than 0.5%. Like the isoelectronic C5H2 carbene of similar structure, HC4N was found to have fairly large centrifugal distortion and a large inertial defect. The calculated dipole moment of HC4N is 2.95 D. © 1999 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.479971
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