Highly asymmetric coordination in alkenes: Gas-phase structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene

McLachlan, LJ; Hinchley, SL; Rankin, DWH; Morrison, CA; Robertson, HE; Mitzel, Norbert W.; Rudinger, C; Schmidbaur, H

Highly asymmetric coordination in alkenes: Gas-phase structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene

McLachlan LJ, Hinchley SL, Rankin DWH, Morrison CA, Robertson HE, Mitzel NW, Rudinger C, Schmidbaur H (2003)
INORGANIC CHEMISTRY 42(20): 6539-6544.

Zeitschriftenaufsatz | Veröffentlicht | Englisch

Download

Es wurden keine Dateien hochgeladen. Nur Publikationsnachweis!

DOI

https://doi.org/10.1021/ic034596d

Autor*in

McLachlan, LJ; Hinchley, SL; Rankin, DWH; Morrison, CA; Robertson, HE; Mitzel, Norbert W.^UniBi; Rudinger, C; Schmidbaur, H

Einrichtung

Fakultät für Chemie > Anorganische Chemie und Strukturchemie

Abstract / Bemerkung

The molecular structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene have been determined by gas-phase electron diffraction (GED) and ab initio molecular orbital calculations (MP2/6-311G*). Both compounds were found to have highly asymmetric coordination around the carbon atoms with [ab initio (r(e))/GED (r(a))] C=C-Cl [117.0/117.0(2)degrees] and C=C-Si [126.2/128.1(1)degrees] in the C-2h structure of trans-1,2-dichloro-1,2-disilylethene and C=C-Br [119.2/120.7(4)degrees] and C=C-Si [125.0/125.0(4)degrees] in the C-s structure of 1-bromo-1-silylethene. Other important structural parameters for trans-1,2-dichloro-1,2-disilylethene are C=C [135.2/134.5(3) pm], C-Si [189.4/187.9(2) pm], and C-Cl [175.1/174.9(1) pm], and C=C [134.2/133.4(2) pm], C-Si [187.8/187.2(3) pm], and C-Br [191.3/191.0(3) pm] for 1-bromo-1-silylethene. Further ab initio calculations were carried out on CH2CRX and trans(CRX)(2) (R = SiH3, CH3, or H; X = H, F, Cl, or Br) to gauge the effects of electron-withdrawing and electron-donating groups on the structures. They reveal some even more distorted structures. The asymmetric appearance of these molecules can largely be accounted for by valence shell electron pair repulsion theory.

Erscheinungsjahr

2003

Zeitschriftentitel

INORGANIC CHEMISTRY

Band

Ausgabe

Seite(n)

6539-6544

ISSN

0020-1669

eISSN

1520-510X

Page URI

https://pub.uni-bielefeld.de/record/1928700

Zitieren

McLachlan LJ, Hinchley SL, Rankin DWH, et al. Highly asymmetric coordination in alkenes: Gas-phase structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene. INORGANIC CHEMISTRY. 2003;42(20):6539-6544.

McLachlan, L. J., Hinchley, S. L., Rankin, D. W. H., Morrison, C. A., Robertson, H. E., Mitzel, N. W., Rudinger, C., et al. (2003). Highly asymmetric coordination in alkenes: Gas-phase structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene. INORGANIC CHEMISTRY, 42(20), 6539-6544. https://doi.org/10.1021/ic034596d

McLachlan, LJ, Hinchley, SL, Rankin, DWH, Morrison, CA, Robertson, HE, Mitzel, Norbert W., Rudinger, C, and Schmidbaur, H. 2003. “Highly asymmetric coordination in alkenes: Gas-phase structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene”. INORGANIC CHEMISTRY 42 (20): 6539-6544.

McLachlan, L. J., Hinchley, S. L., Rankin, D. W. H., Morrison, C. A., Robertson, H. E., Mitzel, N. W., Rudinger, C., and Schmidbaur, H. (2003). Highly asymmetric coordination in alkenes: Gas-phase structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene. INORGANIC CHEMISTRY 42, 6539-6544.

McLachlan, L.J., et al., 2003. Highly asymmetric coordination in alkenes: Gas-phase structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene. INORGANIC CHEMISTRY, 42(20), p 6539-6544.

L.J. McLachlan, et al., “Highly asymmetric coordination in alkenes: Gas-phase structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene”, INORGANIC CHEMISTRY, vol. 42, 2003, pp. 6539-6544.

McLachlan, L.J., Hinchley, S.L., Rankin, D.W.H., Morrison, C.A., Robertson, H.E., Mitzel, N.W., Rudinger, C., Schmidbaur, H.: Highly asymmetric coordination in alkenes: Gas-phase structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene. INORGANIC CHEMISTRY. 42, 6539-6544 (2003).

McLachlan, LJ, Hinchley, SL, Rankin, DWH, Morrison, CA, Robertson, HE, Mitzel, Norbert W., Rudinger, C, and Schmidbaur, H. “Highly asymmetric coordination in alkenes: Gas-phase structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene”. INORGANIC CHEMISTRY 42.20 (2003): 6539-6544.

Daten bereitgestellt von European Bioinformatics Institute (EBI)