Intermolecular interaction study of L-Threonine in Polar Aprotic Solvent: Experimental and theoretical study

2021 ◽  
pp. 116689
Author(s):  
Neelam Chetry ◽  
Th.Gomti Devi
Keyword(s):  
Intermolecular Interaction ◽  
Theoretical Study ◽  
Aprotic Solvent ◽  
Interaction Study ◽  
Polar Aprotic Solvent

scholarly journals Mesophase behaviour of a cyanobiphenyl molecule in polar aprotic solvent: Rigidity effect

2020 ◽  
Vol 31 (3) ◽  
pp. 33-45
Author(s):  
Suraj Kumar Nayak ◽  
◽  
P. Lakshmi Praveen ◽  
Keyword(s):  
Transition Temperature ◽  
Room Temperature ◽  
Theoretical Study ◽  
Aprotic Solvent ◽  
Molecular Models ◽  
Polar Aprotic Solvent ◽  
Rigidity Parameter ◽  
The Stability ◽  
Modes Of Interaction ◽  
Crystal Compound

In this paper, a theoretical study has been carried out on a liquid crystal compound named p-n-propyl cyanobiphenyl (3CB). The different modes of interaction energy values in a polar aprotic solvent (ethyl acetate) for small amount of translation and rotation are calculated. The corresponding probabilities have been calculated at both room temperature (300 K) and transition temperature (303.3 K). The rigidity parameter for stacking and in-plane interactions has been estimated and then the stability of molecule according to probability and rigidity at definite translation and rotation has been concluded. The change in the characteristics and stability of the compound at transition temperature has been observed. The dependence of mesophase behaviour with change in the certain configurations and orientation of the molecules have been discussed. These observed results provide an insight about the process of mesophase structure and its formation. The present compound may guide in establishing the other molecular models with transition temperature nearer to room temperature.

Cyclic trimers of phosphinic acids in polar aprotic solvent: symmetry, chirality and H/D isotope effects on NMR chemical shifts

2018 ◽  
Vol 20 (7) ◽  
pp. 4901-4910 ◽  
Author(s):  
V. V. Mulloyarova ◽  
I. S. Giba ◽  
M. A. Kostin ◽  
G. S. Denisov ◽  
I. G. Shenderovich ◽  
...  
Keyword(s):  
Aprotic Solvent ◽  
Chemical Shifts ◽  
Isotope Effects ◽  
Nmr Chemical Shifts ◽  
Polar Aprotic Solvent ◽  
Phosphinic Acids ◽  
Proton Chemical Shifts ◽  
Bonded Complexes ◽  
Hydrogen Bonded

By using NMR in liquefied gases, the stoichiometry of hydrogen-bonded complexes is determined via H/D isotope effects on proton chemical shifts.

Solvolysis of sulphonyl halides. VIII. Reaction of methane and ethane sulphony1 chlorides with methanol, ethanol, and mixed solvent systems

1971 ◽  
Vol 24 (4) ◽  
pp. 713 ◽  
Author(s):  
R Foon ◽  
AN Hambly
Keyword(s):  
Carbon Tetrachloride ◽  
Room Temperature ◽  
Reaction Rate ◽  
Mixed Solvent ◽  
Aprotic Solvent ◽  
Excess Enthalpies ◽  
Initial State ◽  
Polar Aprotic Solvent ◽  
Rate Of Reaction ◽  
Solvent Systems

At room temperature methanesulphonyl chloride reacts more rapidly than ethanesulphonyl chloride in solvolysis by ethanol. Their rates of reaction with methanol are approximately equal while ethanesulphonyl chloride is the more reactive in hydrolysis. The enthalpies and entropies of activation have been determined for the solvolysis of ethanesulphonyl chloride in mixtures of ethanol with benzene, carbon tetrachloride, or 2,2,4-trimethylpentane. A comparison of the excess enthalpies and entropies of mixing in the formation of these solvents with the corresponding parameters for reaction shows that the effects on reaction rate are not due merely to the modification of the initial state of the system. The effect of the polar aprotic solvent nitrobenzene on the rate of reaction with methanol is attributed to an increase in the nucleophilic tendency of the methanol rather than to solvation of the reactive centre in the transition state.

Poly(vinylpyrrolidone) Coated Iron Nanoparticles in Polar Aprotic Solvent

2008 ◽  
Vol 8 (4) ◽  
pp. 2091-2095 ◽  
Author(s):  
Zhihui Ban ◽  
Brian L. Cushing ◽  
Charles J. O'Connor
Keyword(s):  
Iron Nanoparticles ◽  
Aprotic Solvent ◽  
Shell Structures ◽  
Iron Core ◽  
Capping Agent ◽  
Squid Magnetometry ◽  
X Ray ◽  
Transmission Electron ◽  
Polar Aprotic Solvent ◽  
Core Nanoparticles

Poly(vinylpyrrolidone) (PVP) coated iron nanoparticles which show well-defined core–shell structures have been successfully synthesized in a polar aprotic solvent. In this approach, PVP was employed not as capping agent, but as coating polymer directly applied to the metallic (iron) core nanoparticles. The morphologies, structures, compositions and magnetic properties of the products were investigated by transmission electron microscopy (TEM), X-ray powder diffraction (XRD), energy dispersive X-ray spectroscopy (EDXS), SQUID magnetometry and FTIR spectroscopy.

A theoretical study of intermolecular interaction of HNO3 dimer

2001 ◽  
Vol 574 (1-3) ◽  
pp. 213-220 ◽  
Author(s):  
Jinshan Li ◽  
Feng Zhao ◽  
Fuqian Jing ◽  
Heming Xiao
Keyword(s):  
Intermolecular Interaction ◽  
Theoretical Study
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