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Bonding in Elongated Dihydrogen Complexes. Theoretical Analysis of the Electron Density in [ML n (H···H)] Species

✍ Scribed by Maseras, Feliu; Lledós, Agustí; Costas, Miquel; Poblet, Josep M.

Book ID
127180344
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
207 KB
Volume
15
Category
Article
ISSN
0276-7333

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## Abstract Calculations of ^1^ __J__~NH~, ^1h^ __J__~NH~ and ^2h^ __J__~NN~ spin–spin coupling constants of 27 complexes presenting N–H·N hydrogen bonds have allowed to analyze these through hydrogen‐bond coupling as a function of the hybridization of both nitrogen atoms and the charge (+1, 0, − 1