Covalent Bonding and Hyperfine Interactions in Mo(V) Oxo Halide Complexes |
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Authors: | Murav'ev V. I. |
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Affiliation: | (1) Research and Production Enterprise Izmeritel , Ulyanovsk, Russia |
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Abstract: | Optical and EPR data were used to analyze delocalized bond structures in the antibonding and bonding states of complexes MoOL5 (L = Cl and Br). Covalent bond parameters were calculated with consideration of charge-transfer states (CTS). The effects of CTS on the components of the g, A, and AL tensors were estimated; the third-order corrections for the EPR parameters were calculated. The role of CTSs for interpretation of the parameters of the additional hyperfine interaction was noted. |
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