Cooperativity between the dihydrogen bond and the NHC hydrogen bond in LiH-(HCN)n Complexes.

Abstract

The cooperativity between the dihydrogen bond and the NHC hydrogen bond in LiH-(HCN)(n) (n=2 and 3) complexes is investigated at the MP2 level of theory. The bond lengths, dipole moments, and energies are analyzed. It is demonstrated that synergetic effects are present in the complexes. The cooperativity contribution of the dihydrogen bond is smaller than… (More)
DOI: 10.1002/cphc.200800320

Topics

  • Presentations referencing similar topics