Molecular structure of CH(GeBr3)3 determined by gas electron diffraction and ab initio calculations: Steric congestion in tri- and tetra- germylmethanes

A. Haaland, D. J. Shorokhov, H. V. Volden, J. McMurran, John Kouvetakis

Research output: Contribution to journalArticle

2 Scopus citations

Abstract

The molecular structure of CH(GeBr3)3 has been determined by gas electron diffraction (GED) and ab initio calculation at the HF/6-31G* level. The calculations indicate that the equilibrium structure has C3 symmetry. The most important bond distances are (GED/HF-MO); Ge-C = 199.5(10)/193.6 pm, Ge-Br (mean) = 228.1(2)/228.0 pm, and valence angles <GeCGe = 115.3(3)113.3°and <CGeBr (mean) = 111.4(3)/110.8°. The GeBr3 groups are rotated 31.8(6)/22.4° away from the staggered orientation.

Original languageEnglish (US)
Pages (from-to)29-34
Number of pages6
JournalJournal of Molecular Structure
Volume509
Issue number1-3
DOIs
StatePublished - Oct 12 1999

Keywords

  • Gas electron diffraction
  • Germylmethanes
  • Molecular structure

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

Fingerprint Dive into the research topics of 'Molecular structure of CH(GeBr<sub>3</sub>)<sub>3</sub> determined by gas electron diffraction and ab initio calculations: Steric congestion in tri- and tetra- germylmethanes'. Together they form a unique fingerprint.

  • Cite this