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8609429 
Journal Article 
Phosphorus-31, nitrogen-15, and nitrogen-14 nuclear magnetic resonance spectra of α-tetraphosphorus trisulphide isothiocyanates 
Tattershall, BW 
1990 
1 
Journal of the Chemical Society. Dalton Transactions
ISSN: 1472-7773
EISSN: 1364-5447 
2 
663-669 
English 
Phosphorus-31 n.m.r. spectra of α-P4S3(NCS) 2 (1), α-P4S3(NCS)Cl (2), and α-P4S3(NCS)I (3) have been measured both for natural-abundance 14N isotopomers [(1a), (2a), and (3a)] and completely 15N-containing isotopomers [(1b), (2b), and (3b)] over a range of temperatures. Assignment and computer fitting of spectra of the 15N compounds has yielded accurate values of 31P- 31P and 31P-15N coupling constants, and has allowed their variation with temperature to be studied. Measurement of 15N n.m.r. spectra [compounds (1b) and (3b)] has allowed the signs of the31P-15N couplings to be confirmed. A 14N T1 relaxation study of α-P4S3( 14NCS)2 (1a) showed a normal relaxation rate, and abnormal broadening in the 31P n.m.r. spectra of the 14N compounds was ascribed instead to the influence of abnormally large 1J PN coupling constants in the scalar coupling relaxation mechanism. Large 31P-15N coupling constants are reported for phosphorus(III) isothiocyanates, and for α-P4S3 derivatives. Similarly, large values of 1J(31P- 13C) for α-P4S3(13CN)( 12CN), and of the secondary isotope shifts 1Δ[ 31P(37/35Cl)] for α-P4S3( 15NCS)Cl (2b) and α-P4S3Cl2, are reported.