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• W2000340519 endingPage "10077" @default.
• W2000340519 startingPage "10063" @default.
• W2000340519 abstract "Reactions of group 5 metal atoms and methyl halides give carbon−metal single, double, and triple bonded complexes that are identified from matrix IR spectra and vibrational frequencies computed by DFT. Two different pairs of complexes are prepared in reactions of methyl fluoride with laser-ablated vanadium and tantalum atoms. The two vanadium complexes (CH3−VF and CH2VHF) are persistently photoreversible and show a kinetic isotope effect on the yield of CD2VDF. Identification of CH2TaHF and CH⋮TaH2F-, along with the similar anionic Nb complex, suggests that the anionic methylidyne complex is a general property of the heavy group 5 metals. Reactions of Nb and Ta with CH3Cl and CH3Br have also been carried out to understand the ligand effects on the calculated structures and the vibrational characteristics. The methylidene complexes become more distorted with increasing halogen size, while the calculated CM bond lengths and stretching frequencies decrease and increase, respectively. The anionic methylidyne complexes are less favored with increasing halogen size. Infrared spectra show a dramatic increase of the Ta methylidenes upon annealing, suggesting that the formation of CH3−TaX and its conversion to CH2TaHX require essentially no activation energy." @default.
• W2000340519 created "2016-06-24" @default.
• W2000340519 creator A5029634322 @default.
• W2000340519 creator A5036641250 @default.
• W2000340519 date "2006-08-01" @default.
• W2000340519 modified "2023-10-18" @default.
• W2000340519 title "Infrared Spectra of the CH₃−MX, CH₂MHX, and CH⋮MH₂X^- Complexes Formed by Reaction of Methyl Halides with Laser-ablated Group 5 Metal Atoms" @default.
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• W2000340519 doi "https://doi.org/10.1021/jp0629644" @default.
• W2000340519 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16913680" @default.
• W2000340519 hasPublicationYear "2006" @default.
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