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Russian Journal of Organic Chemistry

, Volume 45, Issue 10, pp 1437–1441 | Cite as

Quantum-chemical study on conformations of molecular complexes formed by 2-methyl-1,3,2-dioxaborinane with methylamine

  • O. Yu. Valiakhmetova
  • S. A. Bochkor
  • V. V. Kuznetsov
Article

Abstract

Conformations of 1: 1 molecular complexes of 2-methyl-1,3,2-dioxaborinane with methylamine were studied in terms of restricted Hartree-Fock approximation using STO-3G, 3-21G, and 6-31G(d) bass sets. The results showed possible formation of two types of complexes, one with dative N→B bond, and the other with intermolecular hydrogen bond NH … O. Their relative stability and conformations are determined by both mutual orientation of the components and basis set used.

Keywords

Potential Energy Surface Molecular Complex Methylamine Boronic Acid Phenylboronic Acid 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Pleiades Publishing, Ltd. 2009

Authors and Affiliations

  • O. Yu. Valiakhmetova
    • 1
  • S. A. Bochkor
    • 1
  • V. V. Kuznetsov
    • 1
    • 2
  1. 1.Ufa State Petroleum Technological UniversityUfaBashkortostan, Russia
  2. 2.Institute of Molecule and Crystal Physics, Ufa Research CenterRussian Academy of SciencesUfaBashkortostan, Russia

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