Studies on the triangular cluster [Mo₃S₁₃]²⁻: Electronic structure (Xα calculations, XPS), crystal structure of (Ph₄As)₂[Mo₃S₁₃]. 2CH₃CN and a refinement of the crystal structure of (NH₄)₂[Mo₃s₁₃]·H₂O

Abstract

Abstract The electronic structure of the triangular thio cluster [Mo 3 S 13 ] 2− has been studied by electronic absorption and XP spectra and is discussed in terms of SCF‐Xα‐SW calculations. The synthesis and crystal structure of (Ph 4 As) 2 [Mo 3 S 13 ]·2CH 3 CN, which is soluble in organic solvents, are reported together with a refinement of the crystal structure of (NH 4 ) 2 [Mo 3 S 13 ]·H 2 O.