- IR spectra of boron-stabilized anions in the gas phase
- Inorganic Chemistry
- Volume | Issue number
- 49 | 15
- Pages (from-to)
- Document type
- Faculty of Science (FNWI)
- Van 't Hoff Institute for Molecular Sciences (HIMS)
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.
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