Intramolecular hydrogen bonding in chemoselective synthesized 2-substituted pyrrole stable phosphorus ylide: GIAO, AIM, and NBO approaches

2012 ◽  
Vol 24 (2) ◽  
pp. 623-635 ◽  
Author(s):  
Mehdi Shahraki ◽  
Sayyed Mostafa Habibi-Khorassani ◽  
Ali Ebrahimi ◽  
Malektaher Maghsoodlou ◽  
Younes Ghalandarzehi
Keyword(s):  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Phosphorus Ylide ◽  
Intramolecular Hydrogen ◽  
Aim And Nbo

Effect of substitution on the intramolecular hydrogen bonding of 4-amino-3-penten-2-one: Ab initio, AIM and NBO studies

2007 ◽  
Vol 847 (1-3) ◽  
pp. 47-51 ◽  
Author(s):  
Heidar Raissi ◽  
Mehdi Bakavol ◽  
Isaac Jimenez-Fabian ◽  
Javad Tajabadi ◽  
Effat Mdoshfeghi ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Ab Initio ◽  
Intramolecular Hydrogen Bonding ◽  
Intramolecular Hydrogen ◽  
Aim And Nbo

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

Intramolecular Hydrogen Bonding Facilitates Electrocatalytic Reduction of Nitrite in Aqueous Solutions

2019 ◽  
Vol 58 (14) ◽  
pp. 9443-9451 ◽  
Author(s):  
Song Xu ◽  
Hyuk-Yong Kwon ◽  
Daniel C. Ashley ◽  
Chun-Hsing Chen ◽  
Elena Jakubikova ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Aqueous Solutions ◽  
Intramolecular Hydrogen Bonding ◽  
Electrocatalytic Reduction ◽  
Intramolecular Hydrogen

Seven-Membered Intramolecular Hydrogen Bonding of Phenols: Database Analysis and Phloroglucinol Model Compounds

2012 ◽  
Vol 2012 (24) ◽  
pp. 4483-4492 ◽  
Author(s):  
Ronald K. Castellano ◽  
Yan Li ◽  
Edwin A. Homan ◽  
Andrew J. Lampkins ◽  
Iris V. Marín ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Model Compounds ◽  
Database Analysis ◽  
Intramolecular Hydrogen

scholarly journals NMR of Natural Products as Potential Drugs

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3763
Author(s):  
Poul Erik Hansen
Keyword(s):  
Natural Products ◽  
Hydrogen Bonding ◽  
Density Functional ◽  
Chemical Shifts ◽  
Isotope Effects ◽  
Density Functional Theory Calculations ◽  
Intramolecular Hydrogen Bonding ◽  
Chemical Equilibria ◽  
Nmr Techniques ◽  
Intramolecular Hydrogen

This review outlines methods to investigate the structure of natural products with emphasis on intramolecular hydrogen bonding, tautomerism and ionic structures using NMR techniques. The focus is on 1H chemical shifts, isotope effects on chemical shifts and diffusion ordered spectroscopy. In addition, density functional theory calculations are performed to support NMR results. The review demonstrates how hydrogen bonding may lead to specific structures and how chemical equilibria, as well as tautomeric equilibria and ionic structures, can be detected. All these features are important for biological activity and a prerequisite for correct docking experiments and future use as drugs.

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