The Change in the Nature of the Chemical Bond through Hydrogen Tunneling Process in BN‐Ethylamine. Issue 47 (17th December 2019)

• Record Type: Journal Article
• Authors: Lopez‐Castillo, Alejandro; Morgon, Nelson H.
• Is Part Of: ChemistrySelect. Volume 4:Issue 47(2019)
• Page Start: 13867
• Page End: 13875
• Publication Date: 2019-12-17
• Subjects: Chemical Bond -- Coordinate Covalent Bond -- Inorganic Ethylamine -- Single Covalent Bond -- Tunneling Process; Chemistry -- Periodicals; 540.5
• DOI: 10.1002/slct.201903664
• Languages: English
• ISSNs: 2365-6549

Abstract

Abstract: The change process in the nature of the chemical bond between BN single covalent (…H2 B‐N H2 ) and coordinate covalent (…H2 B‐N H3 ) bonds was studied considering the BN‐ethylamine molecule (NH2 BH2 NH3 ). This molecule is an inorganic ethylamine in which the C atoms were substituted by BN pairs and the B atom is in the center of molecule. Abstract : The study of the tunneling process of the hydrogen atom is seen considering the change in the nature of the chemical bond from dative to covalent chemical bonds and vice versa. In the reaction path, it shows this change through the behavior of the selected Natural Bond Orbitals and Molecular Orbitals. The interconversion between the B−N bonds may be followed by variation of bond length, charge migration, bond order, and molecular orbital shape, which are governed by the tunneling process and observed in this unique system.