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

Smart BA, Griffiths LE, Pulham CR, Robertson HE, Mitzel NW, Rankin DWH (1997)
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS (9): 1565-1570.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Autor*in
Smart, BA; Griffiths, LE; Pulham, CR; Robertson, HE; Mitzel, Norbert W.UniBi; Rankin, DWH
Abstract / Bemerkung
The gas-phase structure of tin(II) acetate, Sn(O2CCH3)(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)degrees; 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)degrees and the acetate groups are twisted about the Sn ... C axis by 16.8(11)degrees away from a rhomboidal-based pyramid.
Erscheinungsjahr
1997
Zeitschriftentitel
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
Ausgabe
9
Seite(n)
1565-1570
ISSN
0300-9246
eISSN
1364-5447
Page URI
https://pub.uni-bielefeld.de/record/1928969

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Smart BA, Griffiths LE, Pulham CR, Robertson HE, Mitzel NW, Rankin DWH. Molecular structure of tin(II) acetate as determined in the gas phase by electron diffraction and ab initio calculations. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS. 1997;(9):1565-1570.
Smart, B. A., Griffiths, L. E., Pulham, C. R., Robertson, H. E., Mitzel, N. W., & Rankin, D. W. H. (1997). Molecular structure of tin(II) acetate as determined in the gas phase by electron diffraction and ab initio calculations. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS(9), 1565-1570. https://doi.org/10.1039/a608356k
Smart, B. A., Griffiths, L. E., Pulham, C. R., Robertson, H. E., Mitzel, N. W., and Rankin, D. W. H. (1997). Molecular structure of tin(II) acetate as determined in the gas phase by electron diffraction and ab initio calculations. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1565-1570.
Smart, B.A., et al., 1997. Molecular structure of tin(II) acetate as determined in the gas phase by electron diffraction and ab initio calculations. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, (9), p 1565-1570.
B.A. Smart, et al., “Molecular structure of tin(II) acetate as determined in the gas phase by electron diffraction and ab initio calculations”, JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1997, pp. 1565-1570.
Smart, B.A., Griffiths, L.E., Pulham, C.R., Robertson, H.E., Mitzel, N.W., Rankin, D.W.H.: Molecular structure of tin(II) acetate as determined in the gas phase by electron diffraction and ab initio calculations. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS. 1565-1570 (1997).
Smart, BA, Griffiths, LE, Pulham, CR, Robertson, HE, Mitzel, Norbert W., and Rankin, DWH. “Molecular structure of tin(II) acetate as determined in the gas phase by electron diffraction and ab initio calculations”. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS 9 (1997): 1565-1570.

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