scholarly journals Fundamental and overtone vibrational spectroscopy, enthalpy of hydrogen bond formation and equilibrium constant determination of the methanol–dimethylamine complex

2013 ◽  
Vol 15 (25) ◽  
pp. 10194-10206 ◽  
Author(s):  
Lin Du ◽  
Kasper Mackeprang ◽  
Henrik G. Kjaergaard
Keyword(s):  
Hydrogen Bond ◽  
Equilibrium Constant ◽  
Vibrational Spectroscopy ◽  
Bond Formation ◽  
Hydrogen Bond Formation ◽  
Constant Determination

Role of geometrical prodan structures in the determination of possible centers of hydrogen bond formation

2008 ◽  
Vol 51 (1) ◽  
pp. 10-17 ◽  
Author(s):  
O. M. Zharkova ◽  
Yu. P. Morozova ◽  
A. A. Lukashevskaya ◽  
V. Ya. Artyukhov ◽  
B. V. Korolev
Keyword(s):  
Hydrogen Bond ◽  
Bond Formation ◽  
Hydrogen Bond Formation

Thermodynamic and UV Studies of Association Reaction between Phenols and Benzil Mono Benzylidene Aniline

2002 ◽  
Vol 216 (9) ◽  
Author(s):  
A.S.P. Azzouz
Keyword(s):  
Hydrogen Bond ◽  
Absorption Spectrum ◽  
Equilibrium Constant ◽  
Bathochromic Shift ◽  
Bond Formation ◽  
Effect Of Temperature ◽  
Uv Spectrum ◽  
Hydrogen Bond Formation ◽  
Association Reaction ◽  
Uv Absorption Spectrum

The study includes two complementary topics. Firstly, the influence of various concentrations of phenols on the UV absorption spectrum of benzil mono benzylidene aniline (BMBA) in different solvents. Experiments show a bathochromic shift in the UV spectrum of BMBA obtained after addition of phenol. When phenol is replaced by 2,4-dimethylphenol, rather similar results are observed. The results are interpreted interms of hydrogen bond formation between BMBA and phenol. Secondly, it is decided to confirm the hydrogen-bond formation stated above by thermodynamic method. Accordingly, the effect of temperature on the equilibrium constant value of the interaction between BMBA and phenol is considered. Evaluated thermodynamic parameters Δ

Vapochromism induced by intermolecular electron transfer coupled with hydrogen-bond formation in zinc dithiolene complex

2020 ◽  
Vol 8 (42) ◽  
pp. 14939-14947
Author(s):  
So Yokomori ◽  
Shun Dekura ◽  
Tomoko Fujino ◽  
Mitsuaki Kawamura ◽  
Taisuke Ozaki ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Electron Transfer ◽  
Bond Formation ◽  
Intermolecular Electron Transfer ◽  
Hydrogen Bond Formation ◽  
Complex Crystal

A novel vapochromic mechanism by intermolecular electron transfer coupled with hydrogen-bond formation was realized in a zinc dithiolene complex crystal.

Diverse mechanisms of carbon-hydrogen bond formation through binuclear reductive elimination reactions

1982 ◽  
Vol 104 (2) ◽  
pp. 619-621 ◽  
Author(s):  
Mario J. Nappa ◽  
Roberto Santi ◽  
Steven P. Diefenbach ◽  
Jack Halpern
Keyword(s):  
Hydrogen Bond ◽  
Bond Formation ◽  
Reductive Elimination ◽  
Hydrogen Bond Formation ◽  
Elimination Reactions

Theoretical analysis of the (HNO)2, (HNO···HNS), and (HNS)2 dimers — A case of red and blue shifts of N–H stretching frequency

2010 ◽  
Vol 88 (8) ◽  
pp. 849-857 ◽  
Author(s):  
Nguyen Tien Trung ◽  
Tran Thanh Hue ◽  
Minh Tho Nguyen
Keyword(s):  
Hydrogen Bond ◽  
Quantum Chemical ◽  
Bond Formation ◽  
Blue Shift ◽  
Proton Donor ◽  
Basis Sets ◽  
Coupled Cluster ◽  
Hydrogen Bond Formation ◽  
Length Contraction ◽  
Moller Plesset

The hydrogen-bonded interactions in the simple (HNZ)2 dimers, with Z = O and S, were investigated using quantum chemical calculations with the second-order Møller–Plesset perturbation (MP2), coupled-cluster with single, double (CCSD), and triple excitations (CCSD(T)) methods in conjunction with the 6-311++G(2d,2p), aug-cc-pVDZ, and aug-cc-pVTZ basis sets. Six-membered cyclic structures were found to be stable complexes for the dimers (HNO)2, (HNS)2, and (HNO–HNS). The pair (HNS)2 has the largest complexation energy (–11 kJ/mol), and (HNO)2 the smallest one (–9 kJ/mol). A bond length contraction and a frequency blue shift of the N–H bond simultaneously occur upon hydrogen bond formation of the N–H···S type, which has rarely been observed before. The stronger the intramolecular hyperconjugation and the lower the polarization of the X–H bond involved as proton donor in the hydrogen bond, the more predominant is the formation of a blue-shifting hydrogen bond.

Internal Hydrogen Bond Formation in a syn-Hydroxyepoxide

Science ◽  
1982 ◽  
Vol 215 (4533) ◽  
pp. 695-696 ◽  
Author(s):  
J. P. GLUSKER ◽  
D. E. ZACHARIAS ◽  
D. L. WHALEN ◽  
S. FRIEDMAN ◽  
T. M. POHL
Keyword(s):  
Hydrogen Bond ◽  
Bond Formation ◽  
Hydrogen Bond Formation ◽  
Internal Hydrogen ◽  
Internal Hydrogen Bond
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