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- W1976018259 abstract "Results of ab initio SCF calculations for aminoborane (BH2 · NH2), diaminoborane (BH(NH2)2) and aminodifluoroborane (BF2 · NH2) are presented. The equilibrium geometries, rotational constants and vibrational frequencies of these species have been determined by calculation. Several molecular electronic properties have been computed and compared with each other to elucidate the electronic structure of the boron—nitrogen bond in those related aliphatic BN compounds. An appreciable amount of the double bond character found and the direction of the calculated dipole moment vector, from nitrogen to boron (positive to negative), in BH2 · NH2 and BF2 · NH2 give rise to the proposal to adopt BH2 ⇋NH2 and BF2⇋NH2 as an adequate representation of the BN bond in these molecules." @default.
- W1976018259 created "2016-06-24" @default.
- W1976018259 creator A5004104096 @default.
- W1976018259 date "1986-03-01" @default.
- W1976018259 modified "2023-10-14" @default.
- W1976018259 title "A theoretical study on the boron—nitrogen bond in aminoborane (BH2 · NH2), diaminoborane (BH(NH2)2) and aminodifluoroborane (BF2 · NH2)" @default.
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- W1976018259 doi "https://doi.org/10.1016/0166-1280(86)87071-3" @default.
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