Electron donation in the water-water hydrogen bond.

[摘要]：Donation is not from an sp3 orbital: Decompn. anal., based on absolutely localized MOs, provides an alternative and somewhat unconventional view of hydrogen bonding in the water dimer. A new description of the electron-donating orbital is uncovered: unlike sp3 lone pairs, a single donor-acceptor orbital pair forms, in which the donating orbital changes its orientation according to the relative positions of the two mols.

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