Literature DB >> 15260605

On the interconversion pathway of HBO<-->BOH.

Qian Peng1, Yubin Wang, Bing Suo, Qizhen Shi, Zhenyi Wen.   

Abstract

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.

Entities:  

Year:  2004        PMID: 15260605     DOI: 10.1063/1.1760746

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  A computational characterization of boron-oxygen multiple bonding in HN=CH-CH=CH-NH-BO.

Authors:  Joseph D Larkin; Krishna L Bhat; George D Markham; Tony D James; Bernard R Brooks; Charles W Bock
Journal:  J Phys Chem A       Date:  2008-08-15       Impact factor: 2.781

  1 in total

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