Preferred Label : hydrogen bond;
Detailed label : hydrogen bond in theoretical organic chemistry;
IUPAC acronym : MO;
IUPAC definition : A particular type of multicenter (three center - four electron) X–H ...Y in which
the central hydrogen atom covalently linked to an electronegative atom X (C, N, O,
S...) forms an additional weaker bond with atom Y (N, O, S...) in the direction of
its lone electron pair orbital. The energy of hydrogen bonds, which is usually in
the range of 3-15 kcal/mol (12-65 kJ/mol), results from the electrostatic interaction
and also from the orbital interaction of the antibonding σ*(XH) i MO /i of the molecule
acting as the hydrogen donor and the non-bonding lone electron pair i MO /i n sub
Y /sub of the hydrogen acceptor molecule.;
Origin ID : HT07050;
Automatic exact mappings (from CISMeF team)
A particular type of multicenter (three center - four electron) X–H ...Y in which
the central hydrogen atom covalently linked to an electronegative atom X (C, N, O,
S...) forms an additional weaker bond with atom Y (N, O, S...) in the direction of
its lone electron pair orbital. The energy of hydrogen bonds, which is usually in
the range of 3-15 kcal/mol (12-65 kJ/mol), results from the electrostatic interaction
and also from the orbital interaction of the antibonding σ*(XH) i MO /i of the molecule
acting as the hydrogen donor and the non-bonding lone electron pair i MO /i n sub
Y /sub of the hydrogen acceptor molecule.
