The synthesis of C[Si(CH3)2X]3SiX3 compounds (X = H, Cl, Br and OH) and the molecular structure of C[Si(CH3)2]3SiH3 in the gas phase; a study by electron diffraction and ab initio molecular orbital calculations

Carole A. Morrison; David W.H. Rankin; Heather E. Robertson; Paul D. Lickiss; Phindile C. Masangane

doi:10.1039/a902915j

The synthesis of C[Si(CH₃)₂X]₃SiX₃ compounds (X = H, Cl, Br and OH) and the molecular structure of C[Si(CH₃)₂]₃SiH₃ in the gas phase; a study by electron diffraction and ab initio molecular orbital calculations

Carole A. Morrison, David W.H. Rankin^*, Heather E. Robertson, Paul D. Lickiss, Phindile C. Masangane

^*Corresponding author for this work

School of Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract / Description of output

A series of new hexafunctional tetrasilylmethane derivatives, C[Si(CH₃)₂X]₃SiX₃, have been prepared. In addition a comprehensive structural study of the parent compound C[Si(CH₃)₂H]₃SiH₃ has been undertaken. A full search of the potential energy surface has been performed ab initio. Results indicate the presence of a total of eleven distinct conformational minima with a total energy range of only 3 kJ mol^-1, with evidence for appreciable energy barriers to internal rotation. The analysis of gas-phase electron diffraction data has been undertaken for this eleven-conformer model and a satisfactory fit has been obtained.

Original language	English
Pages (from-to)	2293-2301
Number of pages	9
Journal	Journal of the Chemical Society - Dalton Transactions
Issue number	14
DOIs	https://doi.org/10.1039/a902915j
Publication status	Published - 21 Jul 1999

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Morrison, C. A., Rankin, D. W. H., Robertson, H. E., Lickiss, P. D., & Masangane, P. C. (1999). The synthesis of C[Si(CH₃)₂X]₃SiX₃ compounds (X = H, Cl, Br and OH) and the molecular structure of C[Si(CH₃)₂]₃SiH₃ in the gas phase; a study by electron diffraction and ab initio molecular orbital calculations. Journal of the Chemical Society - Dalton Transactions, (14), 2293-2301. https://doi.org/10.1039/a902915j

Morrison, Carole A. ; Rankin, David W.H. ; Robertson, Heather E. et al. / The synthesis of C[Si(CH₃)₂X]₃SiX₃ compounds (X = H, Cl, Br and OH) and the molecular structure of C[Si(CH₃)₂]₃SiH₃ in the gas phase; a study by electron diffraction and ab initio molecular orbital calculations. In: Journal of the Chemical Society - Dalton Transactions. 1999 ; No. 14. pp. 2293-2301.

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title = "The synthesis of C[Si(CH3)2X]3SiX3 compounds (X = H, Cl, Br and OH) and the molecular structure of C[Si(CH3)2]3SiH3 in the gas phase; a study by electron diffraction and ab initio molecular orbital calculations",

abstract = "A series of new hexafunctional tetrasilylmethane derivatives, C[Si(CH3)2X]3SiX3, have been prepared. In addition a comprehensive structural study of the parent compound C[Si(CH3)2H]3SiH3 has been undertaken. A full search of the potential energy surface has been performed ab initio. Results indicate the presence of a total of eleven distinct conformational minima with a total energy range of only 3 kJ mol-1, with evidence for appreciable energy barriers to internal rotation. The analysis of gas-phase electron diffraction data has been undertaken for this eleven-conformer model and a satisfactory fit has been obtained.",

author = "Morrison, {Carole A.} and Rankin, {David W.H.} and Robertson, {Heather E.} and Lickiss, {Paul D.} and Masangane, {Phindile C.}",

year = "1999",

month = jul,

day = "21",

doi = "10.1039/a902915j",

language = "English",

pages = "2293--2301",

journal = "Journal of the Chemical Society - Dalton Transactions",

issn = "0300-9246",

publisher = "Royal Society of Chemistry",

number = "14",

}

Morrison, CA , Rankin, DWH, Robertson, HE, Lickiss, PD & Masangane, PC 1999, 'The synthesis of C[Si(CH₃)₂X]₃SiX₃ compounds (X = H, Cl, Br and OH) and the molecular structure of C[Si(CH₃)₂]₃SiH₃ in the gas phase; a study by electron diffraction and ab initio molecular orbital calculations', Journal of the Chemical Society - Dalton Transactions, no. 14, pp. 2293-2301. https://doi.org/10.1039/a902915j

The synthesis of C[Si(CH₃)₂X]₃SiX₃ compounds (X = H, Cl, Br and OH) and the molecular structure of C[Si(CH₃)₂]₃SiH₃ in the gas phase; a study by electron diffraction and ab initio molecular orbital calculations. / Morrison, Carole A.; Rankin, David W.H.; Robertson, Heather E. et al.
In: Journal of the Chemical Society - Dalton Transactions, No. 14, 21.07.1999, p. 2293-2301.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - The synthesis of C[Si(CH3)2X]3SiX3 compounds (X = H, Cl, Br and OH) and the molecular structure of C[Si(CH3)2]3SiH3 in the gas phase; a study by electron diffraction and ab initio molecular orbital calculations

AU - Morrison, Carole A.

AU - Rankin, David W.H.

AU - Robertson, Heather E.

AU - Lickiss, Paul D.

AU - Masangane, Phindile C.

PY - 1999/7/21

Y1 - 1999/7/21

N2 - A series of new hexafunctional tetrasilylmethane derivatives, C[Si(CH3)2X]3SiX3, have been prepared. In addition a comprehensive structural study of the parent compound C[Si(CH3)2H]3SiH3 has been undertaken. A full search of the potential energy surface has been performed ab initio. Results indicate the presence of a total of eleven distinct conformational minima with a total energy range of only 3 kJ mol-1, with evidence for appreciable energy barriers to internal rotation. The analysis of gas-phase electron diffraction data has been undertaken for this eleven-conformer model and a satisfactory fit has been obtained.

AB - A series of new hexafunctional tetrasilylmethane derivatives, C[Si(CH3)2X]3SiX3, have been prepared. In addition a comprehensive structural study of the parent compound C[Si(CH3)2H]3SiH3 has been undertaken. A full search of the potential energy surface has been performed ab initio. Results indicate the presence of a total of eleven distinct conformational minima with a total energy range of only 3 kJ mol-1, with evidence for appreciable energy barriers to internal rotation. The analysis of gas-phase electron diffraction data has been undertaken for this eleven-conformer model and a satisfactory fit has been obtained.

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U2 - 10.1039/a902915j

DO - 10.1039/a902915j

M3 - Article

AN - SCOPUS:33748485136

SN - 0300-9246

SP - 2293

EP - 2301

JO - Journal of the Chemical Society - Dalton Transactions

JF - Journal of the Chemical Society - Dalton Transactions

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ER -

Morrison CA , Rankin DWH, Robertson HE, Lickiss PD, Masangane PC. The synthesis of C[Si(CH₃)₂X]₃SiX₃ compounds (X = H, Cl, Br and OH) and the molecular structure of C[Si(CH₃)₂]₃SiH₃ in the gas phase; a study by electron diffraction and ab initio molecular orbital calculations. Journal of the Chemical Society - Dalton Transactions. 1999 Jul 21;(14):2293-2301. doi: 10.1039/a902915j