1,2-di-tert-butyltetrafluorodisilane, Bu(t)SiF2SiF2But: vibrational spectra and molecular structure in the gas phase by electron diffraction and ab initio calculations

Smart BA, Robertson HE, Mitzel NW, Rankin DWH, Zink R, Hassler K (1997)
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS (14): 2475-2482.

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The molecular structure of 1,2-di-tert-butyltetrafluorodisilane, (BuSiF2SiF2But)-Si-t, has been determined in the gas phase by electron diffraction (GED) and ab initio molecular orbital calculations. Together with infrared and Raman studies, GED shows that only a single conformer (anti, C-2h symmetry) is present in the gas phase. From normal coordinate analysis, the Si-Si stretching force constant is 179 N m(-1), within the range previously observed for other related compounds. Important structural parameters (r(a)) are: Si-Si 234.6(6), Si-C 187.2(3), Si-F 160.0(2), C-C 153.7(3), C-H 113.5(2) pm, Si-Si-C 114.6(7), Si-Si-F 108.7(3) and F-Si-F 107(2)degrees. This geometry is supported by theoretical predictions obtained at the 6-31G*/SCF level.
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Smart BA, Robertson HE, Mitzel NW, Rankin DWH, Zink R, Hassler K. 1,2-di-tert-butyltetrafluorodisilane, Bu(t)SiF2SiF2But: vibrational spectra and molecular structure in the gas phase by electron diffraction and ab initio calculations. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS. 1997;(14):2475-2482.
Smart, B. A., Robertson, H. E., Mitzel, N. W., Rankin, D. W. H., Zink, R., & Hassler, K. (1997). 1,2-di-tert-butyltetrafluorodisilane, Bu(t)SiF2SiF2But: vibrational spectra and molecular structure in the gas phase by electron diffraction and ab initio calculations. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS(14), 2475-2482.
Smart, B. A., Robertson, H. E., Mitzel, N. W., Rankin, D. W. H., Zink, R., and Hassler, K. (1997). 1,2-di-tert-butyltetrafluorodisilane, Bu(t)SiF2SiF2But: vibrational spectra and molecular structure in the gas phase by electron diffraction and ab initio calculations. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 2475-2482.
Smart, B.A., et al., 1997. 1,2-di-tert-butyltetrafluorodisilane, Bu(t)SiF2SiF2But: vibrational spectra and molecular structure in the gas phase by electron diffraction and ab initio calculations. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, (14), p 2475-2482.
B.A. Smart, et al., “1,2-di-tert-butyltetrafluorodisilane, Bu(t)SiF2SiF2But: vibrational spectra and molecular structure in the gas phase by electron diffraction and ab initio calculations”, JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1997, pp. 2475-2482.
Smart, B.A., Robertson, H.E., Mitzel, N.W., Rankin, D.W.H., Zink, R., Hassler, K.: 1,2-di-tert-butyltetrafluorodisilane, Bu(t)SiF2SiF2But: vibrational spectra and molecular structure in the gas phase by electron diffraction and ab initio calculations. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS. 2475-2482 (1997).
Smart, BA, Robertson, HE, Mitzel, Norbert W., Rankin, DWH, Zink, R, and Hassler, K. “1,2-di-tert-butyltetrafluorodisilane, Bu(t)SiF2SiF2But: vibrational spectra and molecular structure in the gas phase by electron diffraction and ab initio calculations”. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS 14 (1997): 2475-2482.
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