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Use of high‐field 119 Sn NMR and the pairwise additivity model for chemical shifts in the identification of complexes in the SnBr 4 –KSCN–MeOH system
Author(s) -
Blunden Stephen J.,
Cusack Paul A.,
Gillies Duncan G.
Publication year - 1986
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260241016
Subject(s) - chemistry , additive function , pairwise comparison , methanol , chemical shift , coupling (piping) , stereochemistry , field (mathematics) , computational chemistry , organic chemistry , pure mathematics , mathematical analysis , statistics , mathematics , mechanical engineering , engineering
The interaction of SnBr 4 and KSCN in methanol solution has been studied by 119 Sn NMR at 149 MHz and −30°C. Evidence was obtained for the existence of both the cis and trans isomeric forms of SnBr 4 ·2MeOH. A pairwise additivity model for chemical shifts was used to explain the observed peaks and many of the possible species, SnBr n (NCS) 4‐n ·2MeOH. [SnBr n (NCS) 5‐n ·MeOH]‐ and [SnBr n (NCS) 6‐n 2− ], (n=0–4), and their somecies, forms were identified and shown to exist simultaneously in solution in complex equilibria. In some cases 119 Sn– 14 N coupling was observed. The implications for possible synthesis of these types of compounds and the necessity for measurement at high field are discussed.