¹³C and ¹⁵N nuclear magnetic resonance studies of selected tetrazoles: Relationships with the chemistry of tetrazoles

Abstract

Abstract Natural abundance 13 C and 15 N nuclear magnetic resonance studies have been carried out on a series of sodium tetrazolate salts, 1,5‐ and 2,5‐disubstituted tetrazoles, bitetrazoles, and cobalt(III) tetrazolate complexes of the type (PBu 3 n )Co(DH) 2 (5‐R‐tetrazolate), where DH is the monoanion of dimethylglyoxime. The 15 N chemical shifts have been analysed with respect to structure, substituent effects, electron density as determined by molecular orbital calculations, Brønsted acidity, Lewis basicity and nucleophilicity of the nitrogen atoms in the ambidentate tetrazoles.