Theoretical Study of the Structure and Properties of Polyynes and Monocyano- and Dicyanopolyynes: Predictions for Long Chain Compounds

2002 ◽  
Vol 106 (15) ◽  
pp. 3828-3837 ◽  
Author(s):  
Anthony Scemama ◽  
Patrick Chaquin ◽  
Marie-Claire Gazeau ◽  
Yves Bénilan
Keyword(s):  
Theoretical Study ◽  
Structure And Properties ◽  
Chain Compounds ◽  
Long Chain

Theoretical study of the structure and properties of Ni/V porphyrins under microwave electric field: A DFT study

Fuel ◽  
2020 ◽  
Vol 278 ◽  
pp. 118305
Author(s):  
Yuting Li ◽  
Hui Shang ◽  
Qi Zhang ◽  
Mostafa Elabyouki ◽  
Wenhui Zhang
Keyword(s):  
Electric Field ◽  
Theoretical Study ◽  
Dft Study ◽  
Structure And Properties

scholarly journals Stereospecific Hydroxylation of Long Chain Compounds by a Species of Torulopsis

1969 ◽  
Vol 244 (4) ◽  
pp. 882-888 ◽  
Author(s):  
E Heinz ◽  
A P Tulloch ◽  
J F T Spencer
Keyword(s):  
Chain Compounds ◽  
Long Chain

Polytypic structure and low-frequency Raman spectra of long-chain compounds: Stearic acid E form

1993 ◽  
Vol 24 (8) ◽  
pp. 527-532 ◽  
Author(s):  
Fumitoshi Kaneko ◽  
Masamichi Kobayashi ◽  
Hirotoshi Sakashita
Keyword(s):  
Stearic Acid ◽  
Raman Spectra ◽  
Low Frequency ◽  
Chain Compounds ◽  
Long Chain

Excess heat capacities and excess volumes of tetraalkyltin compounds: . Effect of correlations of molecular orientations and steric hindrance. Part 1

1984 ◽  
Vol 62 (6) ◽  
pp. 1008-1015 ◽  
Author(s):  
Bernard Riedl ◽  
Geneviève Delmas
Keyword(s):  
Steric Hindrance ◽  
Central Atom ◽  
Orientational Order ◽  
Excess Volumes ◽  
Pure Liquid ◽  
Flory Theory ◽  
Flow Calorimeter ◽  
Alkyl Chains ◽  
Chain Compounds ◽  
Long Chain

A Picker flow calorimeter has been used to obtain molar excess capacities [Formula: see text] through the concentration range at 25 °C for the systems [Formula: see text] where R is the alkyl group CnH2n+1, (n = 1, 2, 3, 4, 8, 12). Excess volumes have also been measured for the mixtures. Two contributions to [Formula: see text] and vE were investigated: those associated with disordering the long alkyl chains and with steric hindrance. The steric hindrance contribution has been found to occur for molecules having a highly substituted central atom. The sign of this contribution is negative in hE and positive in [Formula: see text], indicative of an ordering or loss of mobility for the molecules going from pure liquid to solution. The [Formula: see text] results confirm the more sterically hindered character of the ethyl and propyl derivatives already found with hE. The separation of the disorder and steric contribution is possible in systems involving long-chain compounds. It is found that the orientational order contribution diminishes more slowly with temperature than the steric hindrance effect. The trend of vE in the series is reasonably well predicted by the Prigogine–Patterson–Flory theory.

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