Quantum Therretical Study on Single, alouble and Triple Bonding between Nitrogen-Nitrogen Atoms.

抄録

We intend to study the characteristics of single, double and triple bonds between nitrogen-nitrogen atoms, using a general theory proposed by S.Nagahara. In other words, we study these features of single, double and triple bonds between nitrogen atoms by idealizing the problem to the electronic structure of fictitious diatomic molecules =N-N=, -N=N- and N≡N, where the “open” bonds of nitrogen atoms are represented by a suitably hybridized orbitals, associated with free spins, Thus, adiabatic potentials are non-empirically and numerically computed and bond energies and bond distances are evaluated.
We obtain 2.7e.v., 2.2e.v.and 0.15A°, 0.10A° for the values of relative bond energy differences and bond distance differences of single and double, double and triple bonding, compared with the experimental values, 2.3e.v., 3.9e.v.and 0.16A°, 0.15A°respectively.