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- W2079287138 abstract "NF (nitrogen monofluoride, fluoroimidogen) is isoelectronic with O2, and, like O2, it has a triplet configuration in the ground state, with two low-lying metastable singlet excited states. The dipole moment of the a 1Delta excited state was measured in 1973 to be 0.37 +/- 0.06 D; at the time its polarity was assumed to be normal (i.e., with the negative charge on the fluorine). However, high-level electronic structure calculations, which reproduce with high accuracy the known spectroscopic constants of the ground and excited states of NF, predict a dipole moment of -0.388 D for a 1Delta NF, indicating that, despite the electronegativities, this molecule carries a positive charge on fluorine. The other singlet state is predicted to have an even larger negative dipole moment; the ground-state triplet should have a very small positive moment. Singlet NF resembles in this respect CO and BF, from the N2 isoelectronic series, both of which also have negative dipole moments." @default.
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- W2079287138 date "2001-12-21" @default.
- W2079287138 modified "2023-09-27" @default.
- W2079287138 title "The Electric Dipole Polarity of the Ground and Low-Lying Metastable Excited States of NF" @default.
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- W2079287138 doi "https://doi.org/10.1021/ja0159261" @default.
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