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1 H, 13 C, 15 N, 113 Cd, 2D 15 N 1 H and solid‐state 13 C CP/MAS NMR of Hg and Cd complexes of 4(1 H )‐quinazolinone‐2,3‐dihydro‐2‐thioxo
Author(s) -
MartínezMartínez Francisco Javier,
ArizaCastolo Armando,
RamosNava Victor,
BarbaBehrens Norah,
Contreras Rosalinda
Publication year - 1993
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.1260310908
Subject(s) - chemistry , crystallography , nmr spectra database , deprotonation , molecule , metal , magic angle spinning , tautomer , nuclear magnetic resonance spectroscopy , ligand (biochemistry) , solid state nuclear magnetic resonance , stereochemistry , spectral line , nuclear magnetic resonance , physics , ion , biochemistry , receptor , organic chemistry , astronomy
The Cd(II) and Hg(II) complexes of 4(1H)‐quinazolinone‐2,3‐dihydro‐2‐thioxo (1) and the free ligand were studied by 1D and 2D multinuclear magnetic resonance in solution and 13 C cross polarization magic angle spinning NMR in the solid state. Compound 1 adopts only one of five possible tautomeric structures in solution, namely the thiouracyl‐like structure. It was found that the metal atom is linked to two molecules of deprotonated 1 by N‐1 and coordinated by the sulphur atom. The compounds retain the same structure in the solid state and in dimethyl sulphoxide solution.