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- W2059404663 abstract "Phosphorus(III) oxyhalide OP–X molecules (X=Br, I) were produced by an on-line process. Two routes have been followed to generate OPBr. The obtained OPBr was passed over heated KI to produce OPI. The low-resolution gas-phase Fourier transform infrared spectra, reported here for the first time, show three bands centered at 1268.1, 1253 and 408.2 cm −1 . The first two bands are associated with the OP fundamental stretching mode of OPBr and OPI, respectively. The third band is connected to the P–Br stretching mode of OPBr. Ab initio Hartree–Fock (HF) self-consistent-field (SCF) molecular orbital (MO) calculations and Møller–Plesset second-order perturbation theory (MP2) were performed to determine the geometry, total energy and vibrational frequencies of OPBr and OPI." @default.
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- W2059404663 date "1998-05-01" @default.
- W2059404663 modified "2023-09-23" @default.
- W2059404663 title "Gas-phase infrared spectra and ab initio study of phosphorus(III) oxyhalides OPBr and OPI" @default.
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- W2059404663 doi "https://doi.org/10.1016/s0924-2031(98)00012-5" @default.
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