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Gas-phase structures of sterically crowded disilanes studied by electron diffraction and quantum chemical methods: 1,1,2,2-tetrakis(trimethylsilyl) disilane and 1,1,2,2-tetrakis(trimethylsilyl)dimethyldisilane

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Gas-phase structures of sterically crowded disilanes studied by electron diffraction and quantum chemical methods : 1,1,2,2-tetrakis(trimethylsilyl) disilane and 1,1,2,2-tetrakis(trimethylsilyl)dimethyldisilane. / Schwabedissen, Jan; Lane, Paul D.; Masters, Sarah L.; Hassler, Karl; Wann, Derek A.

In: Dalton Transactions, Vol. 43, No. 26, 14.07.2014, p. 10175-10182.

Research output: Contribution to journalArticle

Harvard

Schwabedissen, J, Lane, PD, Masters, SL, Hassler, K & Wann, DA 2014, 'Gas-phase structures of sterically crowded disilanes studied by electron diffraction and quantum chemical methods: 1,1,2,2-tetrakis(trimethylsilyl) disilane and 1,1,2,2-tetrakis(trimethylsilyl)dimethyldisilane', Dalton Transactions, vol. 43, no. 26, pp. 10175-10182. https://doi.org/10.1039/c4dt00628c

APA

Schwabedissen, J., Lane, P. D., Masters, S. L., Hassler, K., & Wann, D. A. (2014). Gas-phase structures of sterically crowded disilanes studied by electron diffraction and quantum chemical methods: 1,1,2,2-tetrakis(trimethylsilyl) disilane and 1,1,2,2-tetrakis(trimethylsilyl)dimethyldisilane. Dalton Transactions, 43(26), 10175-10182. https://doi.org/10.1039/c4dt00628c

Vancouver

Schwabedissen J, Lane PD, Masters SL, Hassler K, Wann DA. Gas-phase structures of sterically crowded disilanes studied by electron diffraction and quantum chemical methods: 1,1,2,2-tetrakis(trimethylsilyl) disilane and 1,1,2,2-tetrakis(trimethylsilyl)dimethyldisilane. Dalton Transactions. 2014 Jul 14;43(26):10175-10182. https://doi.org/10.1039/c4dt00628c

Author

Schwabedissen, Jan ; Lane, Paul D. ; Masters, Sarah L. ; Hassler, Karl ; Wann, Derek A. / Gas-phase structures of sterically crowded disilanes studied by electron diffraction and quantum chemical methods : 1,1,2,2-tetrakis(trimethylsilyl) disilane and 1,1,2,2-tetrakis(trimethylsilyl)dimethyldisilane. In: Dalton Transactions. 2014 ; Vol. 43, No. 26. pp. 10175-10182.

Bibtex - Download

@article{85f7d319560445a9bc31de492d652be4,
title = "Gas-phase structures of sterically crowded disilanes studied by electron diffraction and quantum chemical methods: 1,1,2,2-tetrakis(trimethylsilyl) disilane and 1,1,2,2-tetrakis(trimethylsilyl)dimethyldisilane",
abstract = "The gas-phase structures of the disilanes 1,1,2,2-tetrakis(trimethylsilyl) disilane [(Me3Si)2HSiSiH(SiMe3)2] (1) and 1,1,2,2-tetrakis(trimethylsilyl)dimethyldisilane [(Me 3Si)2MeSiSiMe(SiMe3)2] (2) have been determined by density functional theoretical calculations and by gas electron diffraction (GED) employing the SARACEN method. For each of 1 and 2 DFT calculations revealed four C2-symmetric conformers occupying minima on the respective potential-energy surfaces; three conformers were estimated to be present in sufficient quantities to be taken into account when fitting the GED data. For (Me3Si)2RSiSiR(SiMe3)2 [R = H (1), CH3 (2)] the lowest energy conformers were found by GED to have RSiSiR dihedral angles of 87.7(17)° for 1 and -47.0(6)° for 2. For each of 1 and 2 the presence of bulky and flexible trimethylsilyl groups dictates many aspects of the geometric structures in the gas phase, with the molecules often adopting structures that reduce steric strain.",
author = "Jan Schwabedissen and Lane, {Paul D.} and Masters, {Sarah L.} and Karl Hassler and Wann, {Derek A.}",
note = "{\circledC} Royal Society of Chemistry 2014. This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details. Date of Acceptance: 19/05/2014",
year = "2014",
month = "7",
day = "14",
doi = "10.1039/c4dt00628c",
language = "English",
volume = "43",
pages = "10175--10182",
journal = "Dalton Transactions",
issn = "1477-9234",
publisher = "Royal Society of Chemistry",
number = "26",

}

RIS (suitable for import to EndNote) - Download

TY - JOUR

T1 - Gas-phase structures of sterically crowded disilanes studied by electron diffraction and quantum chemical methods

T2 - 1,1,2,2-tetrakis(trimethylsilyl) disilane and 1,1,2,2-tetrakis(trimethylsilyl)dimethyldisilane

AU - Schwabedissen, Jan

AU - Lane, Paul D.

AU - Masters, Sarah L.

AU - Hassler, Karl

AU - Wann, Derek A.

N1 - © Royal Society of Chemistry 2014. This is an author-produced version of the published paper. Uploaded in accordance with the publisher’s self-archiving policy. Further copying may not be permitted; contact the publisher for details. Date of Acceptance: 19/05/2014

PY - 2014/7/14

Y1 - 2014/7/14

N2 - The gas-phase structures of the disilanes 1,1,2,2-tetrakis(trimethylsilyl) disilane [(Me3Si)2HSiSiH(SiMe3)2] (1) and 1,1,2,2-tetrakis(trimethylsilyl)dimethyldisilane [(Me 3Si)2MeSiSiMe(SiMe3)2] (2) have been determined by density functional theoretical calculations and by gas electron diffraction (GED) employing the SARACEN method. For each of 1 and 2 DFT calculations revealed four C2-symmetric conformers occupying minima on the respective potential-energy surfaces; three conformers were estimated to be present in sufficient quantities to be taken into account when fitting the GED data. For (Me3Si)2RSiSiR(SiMe3)2 [R = H (1), CH3 (2)] the lowest energy conformers were found by GED to have RSiSiR dihedral angles of 87.7(17)° for 1 and -47.0(6)° for 2. For each of 1 and 2 the presence of bulky and flexible trimethylsilyl groups dictates many aspects of the geometric structures in the gas phase, with the molecules often adopting structures that reduce steric strain.

AB - The gas-phase structures of the disilanes 1,1,2,2-tetrakis(trimethylsilyl) disilane [(Me3Si)2HSiSiH(SiMe3)2] (1) and 1,1,2,2-tetrakis(trimethylsilyl)dimethyldisilane [(Me 3Si)2MeSiSiMe(SiMe3)2] (2) have been determined by density functional theoretical calculations and by gas electron diffraction (GED) employing the SARACEN method. For each of 1 and 2 DFT calculations revealed four C2-symmetric conformers occupying minima on the respective potential-energy surfaces; three conformers were estimated to be present in sufficient quantities to be taken into account when fitting the GED data. For (Me3Si)2RSiSiR(SiMe3)2 [R = H (1), CH3 (2)] the lowest energy conformers were found by GED to have RSiSiR dihedral angles of 87.7(17)° for 1 and -47.0(6)° for 2. For each of 1 and 2 the presence of bulky and flexible trimethylsilyl groups dictates many aspects of the geometric structures in the gas phase, with the molecules often adopting structures that reduce steric strain.

UR - http://www.scopus.com/inward/record.url?scp=84902277949&partnerID=8YFLogxK

U2 - 10.1039/c4dt00628c

DO - 10.1039/c4dt00628c

M3 - Article

VL - 43

SP - 10175

EP - 10182

JO - Dalton Transactions

JF - Dalton Transactions

SN - 1477-9234

IS - 26

ER -