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The equilibrium geometry of HOSi+

✍ Scribed by Peter Botschwina; Melanie Oswald; Peter Sebald


Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
402 KB
Volume
155
Category
Article
ISSN
0022-2852

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πŸ“œ SIMILAR VOLUMES


The Equilibrium Geometry of HNCCN+
✍ P. Botschwina; J. Fluegge; S. Seeger πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 251 KB

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) \A

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AM1 prediction of the equilibrium geomet
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AM1 calculations have been carried out to determine the equilibrium geometry of S&,. The predicted Ih geometry shows that bonds may be clearly identified as single (2.297 A) or aromatic (2.092 A). Several analogies and differences between Si60 and CyI are pointed out. Especially remarkable is the bi