IR spectra of boron-stabilized anions in the gas phase

Authors
Publication date 2010
Journal Inorganic Chemistry
Volume | Issue number 49 | 15
Pages (from-to) 6781-6783
Organisations
  • Faculty of Science (FNWI) - Van 't Hoff Institute for Molecular Sciences (HIMS)
Abstract Action spectroscopy of gaseous Me3BF- and Me2BCH2-, determined using IR multiple photon dissociation (IRMPD), exhibits experimental peak positions in good agreement with those predicted by anharmonic DFT calculations at the B3LYP/aug-cc-pVTZ level. Comparing spring constants among boron-carbon bonds and consideration of isoelectronic systems reveals that the anions have B-CH3 bonds a factor of 1.3-1.4 weaker than those in neutral trimethylboron, suggesting a greater role for hyperconjugation in 8(CH3)(3) than inferred from previous vibrational spectroscopic studies.
Document type Article
Language English
Published at https://doi.org/10.1021/ic1005874
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