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Matrix infrared spectroscopy of F2BMF and FB[triple bond, length as m-dash]WF2 (M = Cr, Mo and W) complexes and quantum chemistry calculations

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Abstract

Laser-ablated group 6 transition metal atoms react with BF3 to yield typical transition metal inserted complexes F2B-MF (M = Cr, Mo, and W) and terminal borylene complex FB[triple bond, length as m-dash]WF2. These products are investigated by using infrared spectroscopy, isotopic substitution and theoretical frequency calculations. The inserted complexes F2B–MF (M = Cr, Mo, and W) were identified by antisymmetric and symmetric stretching modes of F–B–F. The FB[triple bond, length as m-dash]WF2 molecule has a 11B–F (10B–F) stretching frequency at 1453.2 (1505.0) cm−1 and the triple bond between boron and tungsten is confirmed by EDA-NOCV calculations, CASSCF calculation and NBO analysis. Furthermore, the bonding for tungsten complexes is compared with that of molybdenum and chromium complexes, which reveals interesting differences in their chemistries.

Graphical abstract: Matrix infrared spectroscopy of F2BMF and FB [[triple bond, length as m-dash]] WF2 (M = Cr, Mo and W) complexes and quantum chemistry calculations

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Publication details

The article was received on 03 Sep 2019, accepted on 30 Sep 2019 and first published on 01 Oct 2019


Article type: Paper
DOI: 10.1039/C9CP04888J
Phys. Chem. Chem. Phys., 2019, Advance Article

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    Matrix infrared spectroscopy of F2BMF and FB[triple bond, length as m-dash]WF2 (M = Cr, Mo and W) complexes and quantum chemistry calculations

    B. Xu, W. Li, Z. Pu, W. Yu, T. Huang, J. Cheng and X. Wang, Phys. Chem. Chem. Phys., 2019, Advance Article , DOI: 10.1039/C9CP04888J

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