One-electron bonds as intermolecular bonds for molecular complexes involving Mulliken n-electron donors and as-electron acceptors
Keyword(s):
For 1 : 1 molecular complexes involving an n-type electron donor and an aσ-type electron acceptor, it is proved that the simplest Mulliken description, ΨN ≈ Ψ(D,A)+λΨ(D+-A-), is equivalent to using a one-electron bond as the intermolecular bond between the donor (D) and the acceptor (A). The theory is illustrated with reference to the Hassel compound Me3N...I2, and the charge-transfer aspects of hydrogen bonding for the water dimer.
2013 ◽
Vol 295-298
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pp. 1402-1407
1971 ◽
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pp. 3800-3806
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1972 ◽
Vol 68
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pp. 1072-1082
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2002 ◽
Vol 68
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pp. 2445-2452
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1989 ◽
Vol 45
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pp. 977-979
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1971 ◽
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pp. 3789-3800
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2010 ◽
Vol 75
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pp. 1347-1353
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1999 ◽
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pp. 5212-5221
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1977 ◽
Vol 50
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pp. 1807-1812
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