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Three-center four-electron bonds and their indices

✍ Scribed by Tapas Kar; Enrique Sánchez Marcos

Book ID
118319233
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
618 KB
Volume
192
Category
Article
ISSN
0009-2614

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## Abstract __Ab initio__ molecular orbital calculations are reported for the H~2~SSH· and H~2~SCl· radicals and for the H~2~SClH^+·^ radical cation. The two neutral species are found to be very weakly bound van der Waals' complexes, whereas the H~2~SClH^+·^ radical cation is bound by 11.9 kcal mol

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## Abstract For each of HNO, FNO, LiNO, LiON and HF~2~^−^, __ab initio__ valence‐bond wave functions are reported for the four‐electron three‐center bonding unit which involves one of the following sets of atomic orbitals: (a) N__X__ σ‐bond (__X__ = H, For Li) and oxygen 2__p__π′; (b) LiO σ‐bond an