Polyhedron p. 161 - 168 (2017)
Update date:2022-08-10
Topics:
de Morais
Donnici
Rodrigues
de Lima
Wardell
Nascimento
Bitzer
The scarcity of studies concerning diestertin(IV) dithiocarbamate complexes led us to investigate the spectroscopic and structural properties of [(RO2CCH2CH2)2Sn(MDTC)2] (R?=?Me (1) or Et (2); MDTC?=?morpholinodithiocarbamate). The reaction of [(MeO2CCH2CH2)2SnCl2] with sodium morpholinodithiocarbamate (NaMDTC) in CHCl3 afforded (1), while the transesterification reaction of (1) with EtOH in the presence of dmso yielded (2). Both diestertin(IV) complexes were characterized by elemental analysis, FTIR and multinuclear (1H, 13C and 119Sn) NMR spectroscopy, and single-crystal X-ray diffraction. Our X-ray structural analysis revealed that (1) and (2) exhibit a distorted pentagonal bipyramidal coordination geometry. In both cases, the apical positions are occupied by ester groups while the equatorial plane displays two bidentate morpholinodithiocarbamate ligands and one intramolecular C[dbnd]O?Sn interaction. The O?Sn distances amount to 2.632 (1) and 2.618?? (2). According to our supramolecular analysis, the crystal arrangement of each product is assembled by weak C–H?O and C–H?S hydrogen bonds. Finally, a DFT study of the six- and seven-coordinate forms of (1) and (2) allowed an upper-bound estimate of the intramolecular C[dbnd]O?Sn interaction energy, ?3.7?kcal?mol?1.
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