✦ LIBER ✦

The Equilibrium Geometry of HNCCN+

✍ Scribed by P. Botschwina; J. Fluegge; S. Seeger

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 251 KB
Volume: 157
Category: Article
ISSN: 0022-2852
DOI: 10.1006/jmsp.1993.1038

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✦ Synopsis

By combining experimental ground-state rotational constants and ab initio vibration-rotation coupling constants, an accurate equilibrium geometry has been determined for (\mathrm{HNCCN}^{+}: r_{d}(\mathrm{NH})) (=1.0126(5) \AA, R_{1 e}(\mathrm{NC})=1.1404(5) \AA, R_{2 e}(\mathrm{CC})=1.3731(5) \AA), and (R_{3 e}(\mathrm{CN})=1.1625(5)) A. Estimated error bars in units of the last digit are given in parentheses. Predictions are made for the rotational, centrifugal distortion, and (\ell)-type doubling constants of various isotopomers. cic. 1993 Academic Pres. Inc.

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