Investigation of the electron-donor capacity of 2,5-dimethyl-4-pyrone and its thio and seleno analogs in hydrogen bonding

1976 ◽  
Vol 11 (5) ◽  
pp. 520-524
Author(s):  
V. K. Pogorelyi ◽  
I. I. Kukhtenko ◽  
A. I. Tolmachev
Keyword(s):  
Hydrogen Bonding ◽  
Electron Donor ◽  
Donor Capacity

scholarly journals The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

CrystEngComm ◽  
2015 ◽  
Vol 17 (20) ◽  
pp. 3768-3771 ◽  
Author(s):  
Antonio Bauzá ◽  
Antonio Frontera ◽  
Tiddo J. Mooibroek ◽  
Jan Reedijk
Keyword(s):  
Hydrogen Bonding ◽  
Electron Donor ◽  
Molecular Hydrogen ◽  
Electrostatic Interactions ◽  
Lone Pair ◽  
Dft Study ◽  
Nitrogen Lone Pair

A CSD analysis and DFT study reveal that the nitrogen lone-pair in [N(PPh3)2]+ is partially intact and involved in intramolecular hydrogen bonding.

Proton-donor and electron-donor capacity of elements of group VI in the hydrogen bond

1978 ◽  
Vol 14 (5) ◽  
pp. 542-546
Author(s):  
V. K. Pogorelyi
Keyword(s):  
Hydrogen Bond ◽  
Electron Donor ◽  
Proton Donor ◽  
Group Vi ◽  
Donor Capacity

Measurement by NMR spectrometry of hydrogen bonding to bases having more than one equivalent electron donor site

1975 ◽  
Vol 30 (2) ◽  
pp. 309-313 ◽  
Author(s):  
Kim F. Wong ◽  
Teck S. Pang ◽  
Soon Ng
Keyword(s):  
Hydrogen Bonding ◽  
Electron Donor ◽  
Donor Site ◽  
Nmr Spectrometry ◽  
Equivalent Electron

Singularities in the physicochemical properties of spontaneous AOT-BHD unilamellar vesicles in comparison with DOPC vesicles

2015 ◽  
Vol 17 (26) ◽  
pp. 17112-17121 ◽  
Author(s):  
Cristian C. Villa ◽  
N. Mariano Correa ◽  
Juana J. Silber ◽  
Fernando Moyano ◽  
R. Darío Falcone
Keyword(s):  
Physicochemical Properties ◽  
Electron Donor ◽  
High Viscosity ◽  
Unilamellar Vesicles ◽  
Donor Capacity

AOT-BHD vesicles present a bilayer completely different to the traditional DOPC vesicles, with low polarity, high viscosity and more electron donor capacity.

Hydrogen Bonding Contribution to Lipophilicity Parameters. Hydrogen Acceptor and Hydrogen Acceptor Donor Parameters

2004 ◽  
Vol 69 (12) ◽  
pp. 2147-2173 ◽  
Author(s):  
Marvin Charton ◽  
Barbara I. Charton
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Reasonable Assumption ◽  
Hydrogen Acceptor ◽  
Donor Capacity ◽  
The Difference ◽  
Acceptor Capacity ◽  
Lipophilicity Parameters ◽  
Hydrogen Bond Energies

In our analysis of the composition of lipophilicity parameters by the intermolecular force (IMF) model we have made use of nH, the number of OH and/or NH bonds, as a measure of the hydrogen donor capacity of a substituent; and nn, the number of lone pairs on O and/or N atoms in the substituent, as a measure of the hydrogen acceptor capacity of the substituent. The basis of this method is the reasonable assumption that in 55.6 molar water hydrogen bonding is maximized. The method does not account however for differences in the energy of different types of hydrogen bonds, but further assumes that these differences are to a first approximation negligible. In order to improve the model we have defined a scale of group hydrogen bonding acceptor parameters, ηXHA, and overall hydrogen bond parameters ηXHAD from the water/1-octanol partition coefficients of AkX where Ak is alkyl. These parameters should account for both the extent of hydrogen bonding in water and for the difference in hydrogen bond energies of the various types of hydrogen bonds encountered. Correlations of log P values for Ph(CH2)nX, X1(CH2)X2, and substituted amino acids Xaa with the IMF equation using the ηXHA and ηXHAD parameters demonstrated their use. Correlation of log P values for PhX suggested that for many groups separate sets of ηXHA and ηXHAD values are required when they are bonded to sp2 hybridized carbon rather than sp3 hybridized carbon.

Design of tetrathiafulvalene-based TPP analogues combining a good electron-donor capacity and a possible organic zeolite formation: A computational investigation

2010 ◽  
Vol 940 (1-3) ◽  
pp. 13-18
Author(s):  
Wenliang Li ◽  
Godefroid Gahungu ◽  
Bin Zhang ◽  
Jingping Zhang ◽  
Lizhu Hao
Keyword(s):  
Electron Donor ◽  
Computational Investigation ◽  
Organic Zeolite ◽  
Donor Capacity ◽  
Zeolite Formation

Design of TTF-Based Phosphazenes Combining a Good Electron-Donor Capacity and Possible Inclusion Adduct Formation

2006 ◽  
Vol 110 (34) ◽  
pp. 16852-16859 ◽  
Author(s):  
Godefroid Gahungu ◽  
Bin Zhang ◽  
Jingping Zhang
Keyword(s):  
Electron Donor ◽  
Adduct Formation ◽  
Donor Capacity
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