Ab initio molecular orbital calculations with 1.1r~e basis sets and incorporating correlation nre used to cxarninc the structures and relative energies of the vinylownium (CH2CHOH:) and I-hpdro.\\_vethyl (CH3CHOll+) cations. The best structure of the vinylo\onium ion hds the OH2 plane perpendicular
The CH2+ cation
โ Scribed by R. Friedman; S. Preston; A. Dalgarno
- Book ID
- 103029465
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 241 KB
- Volume
- 141
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
A tentative identification is proposed of the state of CH*+ which has been detected in energy loss experiments with a lifetime of at least 3 ks. An empirical modification of a calculated potential energy curve is made which yields a well about I eV deep in the repulsive curve of the ground electronic state near I .2 1 A. An elastic scattering resonance level occurs at the measured excitation energy and has a width corresponding to a lifetime of 3.2 IS.
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