Dipole-Bound Anion of the HNNH3 Isomer of Hydrazine. An Ab Initio Study
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چکیده
The possibility of electron binding to the HNNH3 and H2NNH2 tautomers of hydrazine was studied at the coupled cluster level of theory with single, double, and noniterative triple excitations. The HNNH3 tautomer, with a dipole moment of 5.4 D, binds an electron by 1076 cm-1 whereas the H2NNH2 tautomer forms neither a dipolenor valence-bound anionic state. It is suggested that the HNNH3 tautomer, which is kinetically stable but thermodynamically unstable relative to H2NNH2, may be formed by photodetachment from the N2H4 species examined in this work.
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تاریخ انتشار 1999