A computational insight into the photophysics of a potent UV absorber Tinuvin P: Critical evaluation of the role of charge transfer interaction and topological properties of the intramolecular hydrogen bonding

2011 ◽  
Vol 966 (1-3) ◽  
pp. 250-258 ◽  
Author(s):  
Bijan Kumar Paul ◽  
Nikhil Guchhait
Keyword(s):  
Hydrogen Bonding ◽  
Charge Transfer ◽  
Critical Evaluation ◽  
Intramolecular Hydrogen Bonding ◽  
Topological Properties ◽  
Uv Absorber ◽  
Charge Transfer Interaction ◽  
Intramolecular Hydrogen ◽  
Insight Into

Computer aided design of organic superbases: the role of intramolecular hydrogen bonding

2002 ◽  
Vol 26 (10) ◽  
pp. 1329-1334 ◽  
Author(s):  
Borislav Kovačević ◽  
Zvonimir B. Maksić ◽  
Robert Vianello ◽  
Miljenko Primorac
Keyword(s):  
Hydrogen Bonding ◽  
Computer Aided Design ◽  
Intramolecular Hydrogen Bonding ◽  
Computer Aided ◽  
Intramolecular Hydrogen ◽  
Aided Design

Antioxidant Activity ofo-Bisphenols:  the Role of Intramolecular Hydrogen Bonding

2003 ◽  
Vol 68 (13) ◽  
pp. 5198-5204 ◽  
Author(s):  
Riccardo Amorati ◽  
Marco Lucarini ◽  
Veronica Mugnaini ◽  
Gian Franco Pedulli
Keyword(s):  
Antioxidant Activity ◽  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Intramolecular Hydrogen

Analysis of intramolecular hydrogen bonding in terms of the topological properties of the charge density. The protonated fluoroacetones

1986 ◽  
Vol 64 (10) ◽  
pp. 2042-2047 ◽  
Author(s):  
Sai Cheng Choi ◽  
Russell J. Boyd
Keyword(s):  
Hydrogen Bonding ◽  
Charge Density ◽  
Intramolecular Hydrogen Bonding ◽  
Basis Set ◽  
Topological Properties ◽  
Strong Basis ◽  
Bonding Interaction ◽  
Equilibrium Structures ◽  
Intramolecular Hydrogen ◽  
Optimized Geometries

A new method for the analysis of intramolecular hydrogen bonding is proposed and applied to the equilibrium structures of the protonated fluoroacetones. The method, based on a theory of molecular structure due to Bader, uses the topological properties of the charge density to elucidate the types of interactions within a molecule of interest. The calculations show a strong basis set dependence. In particular, the STO-3G optimized geometries exhibit intramolecular hydrogen bonding between a fluorine substituent and the carbonyl proton, whereas some calculations with geometries optimized at the 4-31G and 6-31G* levels indicate a direct bonding interaction between the fluorine and oxygen atoms. Two types of catastrophe point, namely conflict and bifurcation, are possible in protonated monofluoroacetone. Only the latter was located in the present calculations.

scholarly journals Towards Understanding Photodegradation Pathways in Lignins: The Role of Intramolecular Hydrogen Bonding in Excited States

2014 ◽  
Vol 5 (12) ◽  
pp. 2138-2143 ◽  
Author(s):  
Jamie D. Young ◽  
Michael Staniforth ◽  
Jacob C. Dean ◽  
Gareth M. Roberts ◽  
Federico Mazzoni ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Excited States ◽  
Intramolecular Hydrogen Bonding ◽  
Intramolecular Hydrogen

The stabilizing role of intramolecular hydrogen bonding in disubstituted hydroxy-quinones

2013 ◽  
Vol 110 ◽  
pp. 628-633 ◽  
Author(s):  
Georgina Armendáriz-Vidales ◽  
Eduardo Martínez-González ◽  
Héctor Javier Cuevas-Fernández ◽  
Didier Omar Fernández-Campos ◽  
Rutely C. Burgos-Castillo ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Intramolecular Hydrogen

An insight into the extraction of transition metal ions by picolinamides associated with intramolecular hydrogen bonding and rotational isomerization

RSC Advances ◽  
2014 ◽  
Vol 4 (56) ◽  
pp. 29702-29714 ◽  
Author(s):  
Yan Li ◽  
Yiming Jia ◽  
Zhenwen Wang ◽  
Xianghui Li ◽  
Wen Feng ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Transition Metal ◽  
Metal Ions ◽  
Intramolecular Hydrogen Bonding ◽  
Transition Metal Ions ◽  
Intramolecular Hydrogen ◽  
Insight Into

Disruption of intramolecular H-bonding via N-substitution leads to rotational isomerization and much improvement in extraction of Hg2+.

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