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Gaussian-2 ab Initio Study of Isomeric Cl 2 O 2 and Cl 2 O 2+ and Their Dissociation Reactions

✍ Scribed by Li, Wai-Kee; Ng, Cheuk-Yiu


Book ID
126154362
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
96 KB
Volume
101
Category
Article
ISSN
1089-5639

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By means of a geometry optimization at the MP2/6-3 lG(d) level, the CH302 radicals have been found to exist in five isomeric forms. In order of decreasing stabilities, they are: HO-CH-OH ( ) > 0-CH,-OH (2) > CH&-0 (3) > CH2-O-OH (4) > CHI OH-O (5). On the other hand, there are six CHpO$ isomers: HO-