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- Title
An Exceptionally Close, Non‐Bonded Hydrogen–Hydrogen Contact with Strong Through‐Space Spin–Spin Coupling.
- Authors
Xiao, Yonglong; Mague, Joel T.; Pascal, Jr., Robert A.
- Abstract
Abstract: Condensation of 1,8,13‐tris(mercaptomethyl)triptycene and tris(bromomethyl)methane yields an in,in‐cyclophane with two inwardly directed methine groups. Based on X‐ray analysis and DFT and MP2 calculations, the hydrogen–hydrogen non‐bonded contact distance is estimated to be 1.50–1.53 Å. Furthermore, the two in‐hydrogen atoms show obvious spin–spin coupling with J=2.0 Hz.
- Subjects
HYDROGEN; SPIN-spin coupling constants; CONDENSATION reactions; METHANE; CYCLOPHANES
- Publication
Angewandte Chemie, 2018, Vol 130, Issue 8, p2266
- ISSN
0044-8249
- Publication type
Article
- DOI
10.1002/ange.201712304