The gas-phase molecular structure of 1-fluorosilatrane from electron diffraction

György Forgács, M. Kolonits, I. Hargittai

Research output: Contribution to journalArticle

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Abstract

The molecular geometry of 1-fluorosilatrane has been determined by gas-phase electron diffraction. The distance between the nitrogen and silicon atoms is much longer in the gas phase, viz., 2.324±0.014 Å, than in the crystal, 2.042 (1) Å [5]. This indicates a weakened donor-acceptor interaction possibly as a consequence of the absence of intermolecular interactions in the gas phase. The five-membered rings take envelope conformations with the carbon atoms adjacent to nitrogen at the envelope tips. The following bond distances (g{cyrillic}g, Å) and bond angles (°) were obtained with their estimated total errors: N-C, 1.481±0.008; C-C, 1.514±0.011; O-C, 1.392±0.004; Si-O, 1.652±0.003; Si-F, 1.568±0.006; C-H, 1.118±0.005; N-C-C, 104.5±0.6; C-C-O, 117.0±0.7;C-O-Si, 123.7±0.6; O-Si-F, 98.7±0.3; O-Si-O, 117.8±0.1; C-N-C, 115.0±0.3.

Original languageEnglish
Pages (from-to)245-250
Number of pages6
JournalStructural Chemistry
Volume1
Issue number2-3
DOIs
Publication statusPublished - Mar 1990

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Molecular Structure
Electron diffraction
Molecular structure
molecular structure
electron diffraction
Gases
Electrons
vapor phases
Nitrogen
envelopes
Atoms
Silicon
nitrogen atoms
atoms
Conformations
Carbon
interactions
nitrogen
Crystals
Geometry

ASJC Scopus subject areas

  • Chemistry(all)
  • Structural Biology

Cite this

The gas-phase molecular structure of 1-fluorosilatrane from electron diffraction. / Forgács, György; Kolonits, M.; Hargittai, I.

In: Structural Chemistry, Vol. 1, No. 2-3, 03.1990, p. 245-250.

Research output: Contribution to journalArticle

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abstract = "The molecular geometry of 1-fluorosilatrane has been determined by gas-phase electron diffraction. The distance between the nitrogen and silicon atoms is much longer in the gas phase, viz., 2.324±0.014 {\AA}, than in the crystal, 2.042 (1) {\AA} [5]. This indicates a weakened donor-acceptor interaction possibly as a consequence of the absence of intermolecular interactions in the gas phase. The five-membered rings take envelope conformations with the carbon atoms adjacent to nitrogen at the envelope tips. The following bond distances (g{cyrillic}g, {\AA}) and bond angles (°) were obtained with their estimated total errors: N-C, 1.481±0.008; C-C, 1.514±0.011; O-C, 1.392±0.004; Si-O, 1.652±0.003; Si-F, 1.568±0.006; C-H, 1.118±0.005; N-C-C, 104.5±0.6; C-C-O, 117.0±0.7;C-O-Si, 123.7±0.6; O-Si-F, 98.7±0.3; O-Si-O, 117.8±0.1; C-N-C, 115.0±0.3.",
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N2 - The molecular geometry of 1-fluorosilatrane has been determined by gas-phase electron diffraction. The distance between the nitrogen and silicon atoms is much longer in the gas phase, viz., 2.324±0.014 Å, than in the crystal, 2.042 (1) Å [5]. This indicates a weakened donor-acceptor interaction possibly as a consequence of the absence of intermolecular interactions in the gas phase. The five-membered rings take envelope conformations with the carbon atoms adjacent to nitrogen at the envelope tips. The following bond distances (g{cyrillic}g, Å) and bond angles (°) were obtained with their estimated total errors: N-C, 1.481±0.008; C-C, 1.514±0.011; O-C, 1.392±0.004; Si-O, 1.652±0.003; Si-F, 1.568±0.006; C-H, 1.118±0.005; N-C-C, 104.5±0.6; C-C-O, 117.0±0.7;C-O-Si, 123.7±0.6; O-Si-F, 98.7±0.3; O-Si-O, 117.8±0.1; C-N-C, 115.0±0.3.

AB - The molecular geometry of 1-fluorosilatrane has been determined by gas-phase electron diffraction. The distance between the nitrogen and silicon atoms is much longer in the gas phase, viz., 2.324±0.014 Å, than in the crystal, 2.042 (1) Å [5]. This indicates a weakened donor-acceptor interaction possibly as a consequence of the absence of intermolecular interactions in the gas phase. The five-membered rings take envelope conformations with the carbon atoms adjacent to nitrogen at the envelope tips. The following bond distances (g{cyrillic}g, Å) and bond angles (°) were obtained with their estimated total errors: N-C, 1.481±0.008; C-C, 1.514±0.011; O-C, 1.392±0.004; Si-O, 1.652±0.003; Si-F, 1.568±0.006; C-H, 1.118±0.005; N-C-C, 104.5±0.6; C-C-O, 117.0±0.7;C-O-Si, 123.7±0.6; O-Si-F, 98.7±0.3; O-Si-O, 117.8±0.1; C-N-C, 115.0±0.3.

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