Intramolecular Hydrogen Bonding in Disubstituted Ethanes:  General Considerations and Methodology in Quantum Mechanical Calculations of the Conformational Equilibria of Succinamate Monoanion

2005 ◽  
Vol 109 (40) ◽  
pp. 9083-9088 ◽  
Author(s):  
Mark S. Rudner ◽  
Kent ◽  
William A. Goddard ◽  
John D. Roberts
Keyword(s):  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Conformational Equilibria ◽  
Intramolecular Hydrogen

scholarly journals Intramolecular hydrogen bonding and conformational preferences on 2-fluoro-phenylaminocyclohexanol

2018 ◽  
Author(s):  
Cassia Chiari ◽  
Claudio Francisco Tormena ◽  
Kahlil Schwanka Salome ◽  
Laiza Bruzadelle Loureiro ◽  
Renan Vidal Viesser
Keyword(s):  
Hydrogen Bonding ◽  
Driving Force ◽  
Conformational Stability ◽  
Intramolecular Hydrogen Bonding ◽  
Quantum Mechanical ◽  
Resonance Spectroscopy ◽  
Quantum Mechanical Calculations ◽  
Conformational Preferences ◽  
Intramolecular Hydrogen ◽  
Theoretical Results

The aim of this study is to evaluate the influence and strength of possible intramolecular hydrogen bonding (IntraHB) involving N-H--O, O-H--N, O-H--F and N-H--F molecular moieties as a driving force on the conformational preferences of 2-fluoro-phenylaminocyclohexanol. To achieve our purpose we synthesized the compound and performed it's characterization using Nuclear Magnetic Resonance Spectroscopy (NMR). Quantum mechanical calculations were carried out to evaluate the effect of IntraHB on the conformational stability. Experimental and theoretical results showed that N-H--F and O-H--N IntraHB have a greater influence on the conformacional preferably adopted by the molecule.

scholarly journals Microwave Spectrum, Conformational Equilibria and Intramolecular Hydrogen Bonding of 1-Amino-3-butene.

1988 ◽  
Vol 42a ◽  
pp. 374-390 ◽  
Author(s):  
K.-M. Marstokk ◽  
Harald Møllendal ◽  
Svein Stølen ◽  
Arne F. Andresen ◽  
James E. Boggs ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Microwave Spectrum ◽  
Conformational Equilibria ◽  
Intramolecular Hydrogen

Theoretical study of intramolecular hydrogen bonding and molecular geometry of 2-trifluoromethylphenol

10.1002/jcc.2 ◽  
1996 ◽  
Vol 17 (16) ◽  
pp. 1804-1819 ◽  
Author(s):  
Attila Kov�cs ◽  
Istv�n Kolossv�ry ◽  
G�bor I. Csonka ◽  
Istv�n Hargittai
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Study ◽  
Molecular Geometry ◽  
Intramolecular Hydrogen Bonding ◽  
Intramolecular Hydrogen
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