On the interconversion pathway of HBO<-->BOH.
The potential energy surfaces have been constructed for the 1A', 3A', and 3A" states of HBO by using the multireference perturbation theory with the basis set cc-pVTZ (6d,10f). Two stationary points and a transition state have been characterized on all the three surfaces, which are in good agreement with available experiments and previous calculations. The interconversion pathways from metastable boron hydroxide BOH to the considerably more stable HBO are expounded based on the nature of the surfaces.
Peng
Qian
Q
Department of Chemistry, Northwest University, Xian 710069, China.
Wang
Yubin
Y
Suo
Bing
B
Shi
Qizhen
Q
Wen
Zhenyi
Z