𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Three electron bonds. I. The H2SSH radical cation

✍ Scribed by Timothy Clark

Publisher
John Wiley and Sons
Year
1981
Tongue
English
Weight
374 KB
Volume
2
Category
Article
ISSN
0192-8651

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✦ Synopsis

Abstract

Ab initio molecular orbital calculations are reported for H~2~S, its radical cation, and the H~2~SSH radical cation. At the MP2/4‐31G level the SS three‐electron bond is 2.85 Å long, and has a dissociation energy of 31.2 kcal mole^−1^. The performance of MNDO semiempirical molecular orbital theory is compared with the ab initio results.

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