Investigation of Hydrogen Bonding and Proton Transfer in Nitrosamine - Computational Chemistry

H-bonding is the most widely studied noncovalent interaction in chemical and biological systems. Results show that the proton stretching between a donor and an acceptor affects the strength of hydrogen bond. In some cases, eight-member ring is formed due to the resonance-assisted hydrogen bonds (RAHB) mechanism. The electrostatic nature of H-bond interactions are predicted from QTAIM and NBO analysis. Tautomers are isomers of organic compounds that readily interconvert by a chemical reaction called tautomerization. Commonly this reaction results in the formal migration of a hydrogen atom or proton, accompanied by a switch of a single bond and adjacent double bond, nitrosamine has tautomer structure.

Über den Autor / die Autorin

S. Bavafa and M. Mahboubi have been graduated in master of physical chemistry and organic chemistry, respectively. They are researchers of the Chabahar Universities in Iran. The field study of Bavafa and Mahboubi is Hydrogen Bonding, Proton Transfer, QSPR, Synthesis and Nano-Catalyst.

Produktdetails

• Autoren: Sadeghal Bavafa, Sadeghali Bavafa, Mona Mahboubi
• Verlag: LAP Lambert Academic Publishing
• Sprache: Englisch, Deutsch
• Produktform: Taschenbuch
• Erschienen: 01.01.2014
• EAN: 9783659617652
• ISBN: 978-3-659-61765-2
• Seiten: 72
• Thema: Naturwissenschaften, Medizin, Informatik, Technik > Chemie > Theoretische Chemie