Preparation and characterization of catena-[bromo(tetrahydrofuran-O)(2-thioxo-1,3-dithiole-4,5- dithiolato)antimony(III)], [Br(THF)Sb(dmit)]n

Vibrational and Electronic Spectroscopy of Neutral Antimony Coordination Compounds of the 1,3-Dithiole-2-thione-4,5-dithiolate (dmit)

“…[SbBr(dmit)] and [SbI(dmit)] complexes were synthesized using a literature procedure that consists in reacting SbBr 3 or SbI 3 with Sn(CH 3 ) 2 (dmit). 15 The physical properties, melting point, and elemental analysis of both complexes are in agreement with published values. 15 Elemental analysis (CHN) was carried out in a Perkin-Elmer CHN 2400 spectrometer.…”

“…15 The physical properties, melting point, and elemental analysis of both complexes are in agreement with published values. 15 Elemental analysis (CHN) was carried out in a Perkin-Elmer CHN 2400 spectrometer. The melting points were measured on a Melt-temp-II apparatus.…”

“…In this case, the Sb­(III) centers acquire 6-coordination as a consequence of two Sb---S intermolecular interactions and a Sb–O bond due to the coordination of one THF molecule. As reported by Comerlato and co-workers, the inorganic complex [SbBr­(dmit)­(THF)] presents a molecular structure very similar to its organometallic analog . However, for this inorganic compound, the oxygen from the THF is closer to the Sb­(III) center than in the [SbPh­(dmit)­(THF)] complex.…”

“…First we have evaluated the quality of the computationally optimized geometric parameters for the neutral complexes by comparison with structures from X-ray diffraction studies. 15 Table 1 presents the geometric parameters obtained with the DFT-B3LYP method, in comparison to the experimental struc-ture. The Sb−S and Sb−Br bonds obtained from the crystallographic data have been described correctly by the density functional method.…”

“…As reported by Comerlato and co-workers, the inorganic complex [SbBr(dmit)(THF)] presents a molecular structure very similar to its organometallic analog. 15 However, for this inorganic compound, the oxygen from the THF is closer to the Sb(III) center than in the [SbPh(dmit)(THF)] complex. The greater electronegativity of Br compared to Ph acts as a more effective electron acceptor for electron donation from Sb, thereby resulting in a stronger bond with the oxygen.…”