To what extent do external fields and vibrational and isotopic effects influence NMR coupling constants across hydrogen bonds? two-bond Cl-N spin-spin coupling constants [(super 2h)J(sub Cl-N)] in model ClH:NH3 complexes

EOM-CCSD calculations are performed to evaluate two-bond (super 35)Cl-(super 15)N spin-spin coupling constants [(super 2h)J(sub Cl-N)] across the hydrogen bond in ClH:NH3 complexes. The resulting effect of the external electric fields on the nature of the hydrogen bond is analyzed.