Transition structures and barriers for the 1,2-H shifts in diphosphene (HPPH), phosphazene (HPNH), and diimide (HNNH): A theoretical study of the singlet and triplet states

@inproceedings{Ito1986TransitionSA,
  title={Transition structures and barriers for the 1,2-H shifts in diphosphene (HPPH), phosphazene (HPNH), and diimide (HNNH): A theoretical study of the singlet and triplet states},
  author={Keiji Kariya Ito and Shigeru Nagase},
  year={1986}
}
Abstract The lowest singlet and triplet potential energy surfaces for reactions HPPH → H 2 PP, HPNH→ H 2 PN, HPNH → H 2 NP, and HNNH→H 2 NN are investigated and compared by means of ab initio calculations. The protonation of the title compounds is also investigated.