Proton polarizability of intramolecular hydrogen bonds with molecules non-conjugated and conjugated between donor and acceptor groups

1980 ◽  
Vol 75 (3) ◽  
pp. 500-504 ◽  
Author(s):  
Bogumił Brzeziński ◽  
Georg Zundel
Keyword(s):  
Hydrogen Bonds ◽  
Intramolecular Hydrogen Bonds ◽  
Donor And Acceptor ◽  
Intramolecular Hydrogen

Universal prediction of intramolecular hydrogen bonds in organic crystals

2010 ◽  
Vol 66 (2) ◽  
pp. 237-252 ◽  
Author(s):  
Peter T. A. Galek ◽  
László Fábián ◽  
Frank H. Allen
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Probability Model ◽  
Organic Crystals ◽  
Intramolecular Hydrogen Bonds ◽  
Donor And Acceptor ◽  
Universal Prediction ◽  
Structural Database ◽  
Chemical Descriptors ◽  
Intramolecular Hydrogen

A complete exploration of intramolecular hydrogen bonds (IHBs) has been undertaken using a combination of statistical analyses of the Cambridge Structural Database and computation of ab initio interaction energies for prototypical hydrogen-bonded fragments. Notable correlations have been revealed between computed energies, hydrogen-bond geometries, donor and acceptor chemistry, and frequencies of occurrence. Significantly, we find that 95% of all observed IHBs correspond to the five-, six- or seven-membered rings. Our method to predict a propensity for hydrogen-bond occurrence in a crystal has been adapted for such IHBs, applying topological and chemical descriptors derived from our findings. In contrast to intermolecular hydrogen bonding, it is found that IHBs can be predicted across the complete chemical landscape from a single optimized probability model, which is presented. Predictivity of 85% has been obtained for generic organic structures, which can exceed 90% for discrete classes of IHB.

Controlling emissive properties by intramolecular hydrogen bonds: alkyl and aryl meso‐substituted porphycenes

2021 ◽  
Author(s):  
Jacek Waluk ◽  
Arkadiusz Listkowski ◽  
Natalia Masiera ◽  
Michał Kijak ◽  
Roman Luboradzki ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Intramolecular Hydrogen Bonds ◽  
Intramolecular Hydrogen

Energies of intramolecular hydrogen bonds in some alcohols

1974 ◽  
Vol 20 (3) ◽  
pp. 414-415
Author(s):  
Ya. A. Shuster ◽  
V. A. Granzhan ◽  
P. M. Zaitsev
Keyword(s):  
Hydrogen Bonds ◽  
Intramolecular Hydrogen Bonds ◽  
Intramolecular Hydrogen

Hydrogen bonds in derivatives of N-substituted N’-benzoyl- and N’-(2-chlorobenzoyl)thiourea

1991 ◽  
Vol 56 (4) ◽  
pp. 880-885 ◽  
Author(s):  
Oľga Hritzová ◽  
Dušan Koščík
Keyword(s):  
Hydrogen Bonds ◽  
Spectral Studies ◽  
Intramolecular Hydrogen Bonds ◽  
Tautomeric Forms ◽  
Intramolecular Hydrogen ◽  
Derivatives Of

Intramolecular hydrogen bonds of the N-H···O=C type have been detected in the derivatives of N-substituted N’-benzoyl- and N’-(2-chlorobenzoyl)thiourea on the basis of IR spectral studies. The title compounds can exist in two tautomeric forms.

Spin-spin coupling via intramolecular hydrogen bonds

1985 ◽  
Vol 25 (5) ◽  
pp. 808-810
Author(s):  
L. N. Kurkovskaya ◽  
Yu. M. Chunaev ◽  
N. M. Przhiyalgovskaya
Keyword(s):  
Hydrogen Bonds ◽  
Spin Coupling ◽  
Intramolecular Hydrogen Bonds ◽  
Intramolecular Hydrogen ◽  
Spin Spin Coupling

3,3′-N,N′-Bis(amino)-2,2′-bipyridine — An unusually methylation-resistant amine

2011 ◽  
Vol 89 (8) ◽  
pp. 971-977
Author(s):  
Danielle M. Chisholm ◽  
Robert McDonald ◽  
J. Scott McIndoe
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Complex Mixtures ◽  
Amino Groups ◽  
Intramolecular Hydrogen Bonds ◽  
X Ray ◽  
Intramolecular Hydrogen

Methylation of aromatic amino groups is usually straightforward, but the formation of two intramolecular hydrogen bonds in 3,3′-N,N′-bis(amino)-2,2′-bipyridine and (or) the potential for ring methylation prevents the clean tetramethylation of this molecule. Numerous attempts to make 3,3′-N,N′-bis(dimethylamino)-2,2′-bipyridine produced only complex mixtures of variously methylated products, and the only isolated molecule was 3,3′-N,N′-bis(methylamino)-2,2′-bipyridine, for which an X-ray crystal structure was obtained.

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