Self-association and Hydrogen Bonding of Propionaldehyde in Binary Mixtures with Water and Methanol:A Concentration dependent Raman and DFT Study

2010 ◽  
Author(s):  
Sunil K. Srivastava ◽  
Dheeraj K. Singh ◽  
S. Schlücker ◽  
B. P. Asthana ◽  
P. M. Champion ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Binary Mixtures ◽  
Dft Study ◽  
Self Association

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.

Molecular Association of Hydrogen Bonding Solutes, o-, m-, and p-Cresol, in Carbon Tetrachloride

1974 ◽  
Vol 52 (4) ◽  
pp. 653-660 ◽  
Author(s):  
Earl M. Woolley ◽  
Dennis S. Rushforth
Keyword(s):  
Hydrogen Bonding ◽  
Carbon Tetrachloride ◽  
Least Squares ◽  
Molecular Association ◽  
Intermolecular Hydrogen Bonding ◽  
Heats Of Dilution ◽  
Self Association

The intermolecular hydrogen-bonding self-association of the three cresols in CCl4 solutions at 25 °C has been investigated by calorimetric means. Calorimetrically determined heats of dilution of each of the cresols in anhydrous CCl4 are interpreted in terms of two different models: (i) dimerization and trimerization self-association reactions, and (ii) dimerization followed by stepwise polymerization self-association reactions. Values of K, ΔH0, and ΔS0 for these reactions are calculated using least-squares and other methods. Results show that o-cresol is clearly less associated in anhydrous CCl4 solution at 25 °C than either m- or p-cresol. Values of K2 and K3 (both based on molar concentrations of solutes) and ΔH20and ΔH30 (kcal) for the reactions [Formula: see text] respectively, are o-cresol: 0.7, 1.3,−3.4,−12.5; m-cresol: 0.8, 5.0,−5.0,−13.6; p-cresol: 0.35, 6.5,−5.5,−13.4. Values of K2 and Ks (both based on molar concentrations of solutes) and ΔH20 and ΔHs0 (kcal) for the reactions [Formula: see text] (all n > 2 with same Ks and ΔHS0), respectively, are o-cresol: 0.7, 1.6, −4.2, −4.5; m-cresol: 1.2, 4.0, −5.0, −4.3; p-cresol: 1.0, 7.0, −3.3, −3.5.

scholarly journals Synthesis and self-association of dibenzothiophene derivatives for simulation of hydrogen bonding interaction in asphaltenes

2015 ◽  
Vol 12 (3) ◽  
pp. 501-508
Author(s):  
Ying-Hui Bian ◽  
Shao-Tang Xu ◽  
Le-Chun Song ◽  
Yu-Lu Zhou ◽  
Li-Jun Zhu ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonding Interaction ◽  
Bonding Interaction ◽  
Self Association
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