Single-crystal electron spin resonance spectra of tris(diethyldithiocarbamato)oxomolybdenum(V) and chlorobis(diethyldithiocarbamato)oxomolybdenum(V) diluted in isomorphous host lattices

Abstract
Room-temperature single-crystal e.s.r. spectra are reported for [MoO(S2CNEt2)3] diluted in the corresponding niobium compound, and for [MoOCl(S2CNEt2)2] diluted in [MoO2(S2CNEt2)2]. The principal molecular parameters for [MoO(S2CNEt2)3] are g1= 1.970 ± 0.001, g2= 1.978 ± 0.001, g3= 1.985 ± 0.001, A1= 56.9 ± 0.2 × 10–4 cm–1, A2= 33.6 ± 0.2 × 10–4 cm–1, and A3= 27.1 ± 0.2 × 10–4 cm–1, whilst those for [MoOCl(S2CNEt2)2] are g1= 1.945 ± 0.001, g2= 1.958 ± 0.001, g3= 1.984 ± 0.001, A1(Mo)= 24.1 ± 0.2 × 10–4 cm–1, A2(Mo)= 27.5 ± 0.2 × 10–4 cm–1, A3(Mo)= 61.4 ± 0.4 × 10–4 cm–1, |A1(Cl)|= 2.6 ± 0.1 × 10–4 cm–1, |A2(Cl)|= 4.5 ± 0.1 × 10–4 cm–1, and |A3(Cl)|= 12.6 ± 0.1 × 10–4 cm–1. In both compounds the principal axis systems for the g and metal hyperfine tensors are non-coincident. The electronic absorption spectra and angular variation of the single-crystal g values have been interpreted in terms of a parameterised angular-overlap model.

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