PLASTICITY OF CL-TE-CL FRAGMENTS - SYNTHESIS, SINGLE-CRYSTAL X-RAY, AND NBO STUDY OF (1-THIA-2-TELLURA-1-PHENYL-4-CHLORO)CYCLOPENTANE 2,2,2-TRICHLORIDE

Tellurium tetrachloride and allylphenyl sulfide react to form (1-thia- 2-tellura-1-phenyl-4-chloro)cyclopentane 2,2,2-trichloride. The crysta l and molecular structure were determined by single-crystal X-ray tech niques. The crystals belong to the monoclinic system, space group P2(1 )/c (No. 14) with a = 6.020(3) Angstrom, b = 11.46(1) Angstrom, c = 20 .156(2) Angstrom, beta = 97.53(2)degrees, V = 1379(1) Angstrom(3), and Z = 4. The structure was refined to the final R value of 0.036. The c oordination around Te-IV is distorted psi octahedral with three Cl ato ms in the equatorial positions. The axial Te(1)-C(1) bond opposite to the lone pair of electrons at the Te-IV atom completes the coordinatio n polyhedron. The intramolecular Te-S distance is 2.903(3) Angstrom. S ymmetric and asymmetric deformation modes were established to describe the plasticity of the Cl-Te-Cl fragments extracted from the Cambridge Structural Database. The hypervalency of Te-IV manifests itself as pl asticity in the equatorial plane of the coordination sphere. The NBO c alculations show that all of the equatorial Te-CI bonds are highly pol arized and the electrons reside mainly on the Cl atoms.