14N and35Cl nuclear quadrupole coupling constants in thiazyl chloride from microwave spectroscopy andab initio molecular orbital computations

Summary The¹⁴N and³⁵Cl nuclear quadrupole coupling constants of the¹⁴N³²S³⁵Cl isotopic species of thiazyl chloride have been determined from an analysis of the hyperfine structure of sixμ _a andμ _b transitions in the microwave spectrum as (in MHz) _χaa (³⁵CL) = −39.00(3), _χbb (³⁵CL) = 23.84(4), _χaa (¹⁴N) = −1.42(6), _χbb (¹⁴N) = −4.16(6).

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Riassunto Le costanti di accoppiamento quadrupolare di¹⁴N e³⁵Cl della specie isotopica¹⁴N³²S³⁵Cl del tiazil cloruro sono state determinate attraverso l'analisi della struttura iperfine di sei transizioni di tipoμ _a eμ _b dello spettro a microonde. Si sono ottenuti i seguenti valori (in MHz): _χaa (³⁵CL) = −39.00(3), _χbb (³⁵CL) = 23.84(4), _χaa (¹⁴N) = −1.42(6), _χbb (¹⁴N) = −4.16(6).

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Резюме Из анализа сверхтонкой структуры шестиμ _a иμ _b переходов в микроволновом спектре определяются ядерные квадрупольные константы связи¹⁴N и³⁵Cl в¹⁴N³²S³⁵Cl. Получены следующие значения (в МГц): _χaa (³⁵CL) = −39.00(3), _χbb (³⁵CL) = 23.84(4), _χaa (¹⁴N) = −1.42(6), _χbb (¹⁴N) = −4.16(6).kg]PACS. 33.20