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Issue 9, 1997
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Molecular structure of tin(II) acetate asdetermined in the gas phase by electron diffraction and abinitio calculations


The gas-phase structure of tin(II) acetate, Sn(O 2 CCH 3 ) 2 , has been determined by electron diffraction augmented by flexible restraints derived from ab initio molecular orbital calculations at the DZ(P)/MP2 level. The structure, with C 2 symmetry, can be regarded as a highly distorted trigonal bipyramid, with the lone pair of electrons on tin occupying one of the equatorial sites. The four-membered rings and the acetate groups were both found to adopt near-planar arrangements. The two equivalent acetate groups are asymmetrically bonded to tin, with Sn–O(4) 233.7(12) and Sn–O(5) 219.2(8) pm, and form a narrow bite angle at tin, with O(4)–Sn–O(5) 58.1(2)°; other important experimental structural parameters (r a ) are C(2)–O(4) 124.5(5), C(2)–O(5) 127.5(5) and C(2)–C(8) 151.0(5) pm, C(2)–Sn–C(3) 95.1(12), O(4)–C(2)–O(5) 122.0(4) and O(4)–Sn–C(2)–O(5) 176.3(16)° and the acetate groups are twisted about the Sn · · · C axis by 16.8(11)° away from a rhomboidal-based pyramid.

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Article type: Paper
DOI: 10.1039/A608356K
J. Chem. Soc., Dalton Trans., 1997, 1565-1570

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    Molecular structure of tin(II) acetate as determined in the gas phase by electron diffraction and ab initio calculations

    B. A. Smart, L. E. Griffiths, C. R. Pulham, H. E. Robertson, N. W. Mitzel and D. W. H. Rankin, J. Chem. Soc., Dalton Trans., 1997, 1565
    DOI: 10.1039/A608356K

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