화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.107, No.42, 8975-8979, 2003
Hydrogen-bonding ability of a methyl group
Hydrogen bonds involving the methyl group have been studied by topological analysis of the electron density derived from quantum mechanical geometry-optimized structures of selected molecules/ions. The results indicate that hydrogen-bond formation not only depends on the distance from the methyl group to the proton acceptor, X, but also on the angle CH...X. The species investigated suggest the angle should be bigger than about 100degrees for hydrogen-bond formation.