Molecular structure of 2,2-dimethyl-1,3-dioxa-2- silacyclohexane from gas-phase electron diffraction

György Schultz, Éva Gergö, M. Kolonits, I. Hargittai

Research output: Contribution to journalArticle

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Abstract

The gas-phase molecular structure of 2,2-dimethyl-1,3-dioxa-2-silacyclohexane, (CH3)2Si(OCH2)2(CH2), has been determined by electron diffraction at 290 K nozzle temeperature. The electron diffraction data are consistent with a chair conformation of the six-membered ring having CS symmetry, while the presence of smaller amounts of other conformers cannot be excluded. The following bond lengths rg) and bond angles were obtained: SiO = 1.651 ± 0.003 Å, SiC = 1.863 ± 0.004 Å, CC = 1.529 ± 0.003 Å, OC = 1.425 ± 0.003 Å, (CH)mean = 1.125 ± 0.003 Å, OSiO = 108.9 ± 0.4°, OSiC = 108.5 ± 0.2°, CSiC = 113.9 ± 0.6°, SiOC = 118.5 ± 0.3°, CCC = 112.2 ± 0.4°, (SiCH)mean = 109.1 ± 0.7°, (HC The flap angle characterizing the orientation of the OSiO plane with respect to the four coplanar atoms of the ring (O, C, C, O) is considerably smaller than the corresponding angle in cyclohexane (27° vs. 50°) indicating flattening of the ring in the vicinity of the Si heteroatom. The flap of the opposite end of the ring is similar to that of cyclohexane.

Original languageEnglish
Pages (from-to)143-146
Number of pages4
JournalJournal of Molecular Structure
Volume295
Issue numberC
DOIs
Publication statusPublished - May 25 1993

Fingerprint

Cyclohexane
Molecular Structure
Electron diffraction
Molecular structure
molecular structure
electron diffraction
Gases
Electrons
vapor phases
rings
Bond length
cyclohexane
Conformations
Nozzles
Atoms
flattening
nozzles
seats
methylidyne
symmetry

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Materials Science (miscellaneous)
  • Atomic and Molecular Physics, and Optics

Cite this

Molecular structure of 2,2-dimethyl-1,3-dioxa-2- silacyclohexane from gas-phase electron diffraction. / Schultz, György; Gergö, Éva; Kolonits, M.; Hargittai, I.

In: Journal of Molecular Structure, Vol. 295, No. C, 25.05.1993, p. 143-146.

Research output: Contribution to journalArticle

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abstract = "The gas-phase molecular structure of 2,2-dimethyl-1,3-dioxa-2-silacyclohexane, (CH3)2Si(OCH2)2(CH2), has been determined by electron diffraction at 290 K nozzle temeperature. The electron diffraction data are consistent with a chair conformation of the six-membered ring having CS symmetry, while the presence of smaller amounts of other conformers cannot be excluded. The following bond lengths rg) and bond angles were obtained: SiO = 1.651 ± 0.003 {\AA}, SiC = 1.863 ± 0.004 {\AA}, CC = 1.529 ± 0.003 {\AA}, OC = 1.425 ± 0.003 {\AA}, (CH)mean = 1.125 ± 0.003 {\AA}, OSiO = 108.9 ± 0.4°, OSiC = 108.5 ± 0.2°, CSiC = 113.9 ± 0.6°, SiOC = 118.5 ± 0.3°, CCC = 112.2 ± 0.4°, (SiCH)mean = 109.1 ± 0.7°, (HC The flap angle characterizing the orientation of the OSiO plane with respect to the four coplanar atoms of the ring (O, C, C, O) is considerably smaller than the corresponding angle in cyclohexane (27° vs. 50°) indicating flattening of the ring in the vicinity of the Si heteroatom. The flap of the opposite end of the ring is similar to that of cyclohexane.",
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N2 - The gas-phase molecular structure of 2,2-dimethyl-1,3-dioxa-2-silacyclohexane, (CH3)2Si(OCH2)2(CH2), has been determined by electron diffraction at 290 K nozzle temeperature. The electron diffraction data are consistent with a chair conformation of the six-membered ring having CS symmetry, while the presence of smaller amounts of other conformers cannot be excluded. The following bond lengths rg) and bond angles were obtained: SiO = 1.651 ± 0.003 Å, SiC = 1.863 ± 0.004 Å, CC = 1.529 ± 0.003 Å, OC = 1.425 ± 0.003 Å, (CH)mean = 1.125 ± 0.003 Å, OSiO = 108.9 ± 0.4°, OSiC = 108.5 ± 0.2°, CSiC = 113.9 ± 0.6°, SiOC = 118.5 ± 0.3°, CCC = 112.2 ± 0.4°, (SiCH)mean = 109.1 ± 0.7°, (HC The flap angle characterizing the orientation of the OSiO plane with respect to the four coplanar atoms of the ring (O, C, C, O) is considerably smaller than the corresponding angle in cyclohexane (27° vs. 50°) indicating flattening of the ring in the vicinity of the Si heteroatom. The flap of the opposite end of the ring is similar to that of cyclohexane.

AB - The gas-phase molecular structure of 2,2-dimethyl-1,3-dioxa-2-silacyclohexane, (CH3)2Si(OCH2)2(CH2), has been determined by electron diffraction at 290 K nozzle temeperature. The electron diffraction data are consistent with a chair conformation of the six-membered ring having CS symmetry, while the presence of smaller amounts of other conformers cannot be excluded. The following bond lengths rg) and bond angles were obtained: SiO = 1.651 ± 0.003 Å, SiC = 1.863 ± 0.004 Å, CC = 1.529 ± 0.003 Å, OC = 1.425 ± 0.003 Å, (CH)mean = 1.125 ± 0.003 Å, OSiO = 108.9 ± 0.4°, OSiC = 108.5 ± 0.2°, CSiC = 113.9 ± 0.6°, SiOC = 118.5 ± 0.3°, CCC = 112.2 ± 0.4°, (SiCH)mean = 109.1 ± 0.7°, (HC The flap angle characterizing the orientation of the OSiO plane with respect to the four coplanar atoms of the ring (O, C, C, O) is considerably smaller than the corresponding angle in cyclohexane (27° vs. 50°) indicating flattening of the ring in the vicinity of the Si heteroatom. The flap of the opposite end of the ring is similar to that of cyclohexane.

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