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Deprotonation of 3(2H)-Furanone and 3(2H)-Thiophenone by Carbanions in the Gas Phase: Disproportionately High Aromaticity of the Transition State: An Ab Initio Study

✍ Scribed by Bernasconi, Claude F.; Yamataka, Hiroshi; Yoshimura, Nobuyoshi; Sato, Makoto


Book ID
118130640
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
322 KB
Volume
74
Category
Article
ISSN
0022-3263

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An alternative mechanism of BH2SH format
✍ Alexander M. Mebel; Djamaladdin G. Musaev; Keiji Morokuma πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 411 KB

An alternative mechanism of mercaptoborane, BH,SH, formation is proposed for the reaction of BzHs with SH2. It involves concerted elimination of BH3 and H2 from the H2SB2Hs complex and the highest energy on the pathway relative to SH, + B2H6 is 27.4 kcal/mol at MP4(SDTQ)/6-31 +G(2d, p)//MP2(FULL)/6\