Lifetimes of amine-water and amine-alcohol hydrogen-bonded complexes in hydroxylic solvents. Role of London dispersion forces in solvation

1969 ◽  
Vol 91 (16) ◽  
pp. 4333-4338 ◽  
Author(s):  
Ernest Grunwald ◽  
Robert L. Lipnick ◽  
Earle K. Ralph
Keyword(s):  
Dispersion Forces ◽  
London Dispersion ◽  
London Dispersion Forces ◽  
Bonded Complexes ◽  
Hydrogen Bonded

The role of dispersion type metal⋯π interaction in the enantiotropic phase transition of two polymorphs of tris-(thienyl)bismuthine

2017 ◽  
Vol 46 (39) ◽  
pp. 13492-13501 ◽  
Author(s):  
A. M. Preda ◽  
W. B. Schneider ◽  
D. Schaarschmidt ◽  
H. Lang ◽  
L. Mertens ◽  
...  
Keyword(s):  
Phase Transition ◽  
Dft Calculations ◽  
Dispersion Forces ◽  
Model Compounds ◽  
London Dispersion ◽  
London Dispersion Forces

Bi(2-C4H3S)3 shows an enantiotropic phase transition that is dominated by London dispersion forces. DFT calculations on model compounds were carried out in order to investigate the competition between Bi⋯S and Bi⋯π heteroarene interaction.

Counterintuitive Interligand Angles in the Diaryls E{C6H3-2,6-(C6H2-2,4,6-iPr3)2}2(E = Ge, Sn, or Pb) and Related Species: The Role of London Dispersion Forces

2018 ◽  
Vol 37 (13) ◽  
pp. 2075-2085 ◽  
Author(s):  
Madison L. McCrea-Hendrick ◽  
Markus Bursch ◽  
Kelly L. Gullett ◽  
Leonard R. Maurer ◽  
James C. Fettinger ◽  
...  
Keyword(s):  
Related Species ◽  
Dispersion Forces ◽  
London Dispersion ◽  
London Dispersion Forces

scholarly journals Lead(ii) coordination polymers driven by pyridine-hydrazine donors: from anion-guided self-assembly to structural features

2020 ◽  
Vol 49 (32) ◽  
pp. 11238-11248 ◽  
Author(s):  
Ghodrat Mahmoudi ◽  
Farhad Akbari Afkhami ◽  
Alan R. Kennedy ◽  
Fedor I. Zubkov ◽  
Ennio Zangrando ◽  
...  
Keyword(s):  
Coordination Polymers ◽  
Self Assembly ◽  
Relativistic Effects ◽  
Structural Features ◽  
Dispersion Forces ◽  
Covalent Bonds ◽  
London Dispersion ◽  
London Dispersion Forces

This work unveils an indispensable role of London dispersion forces and relativistic effects in tetrel and covalent bonds of the type Pb–X (X = O, N, S, I), which drives formation of extended architectures of lead(ii) coordination polymers.

scholarly journals Gas-Solid Interaction

1968 ◽  
Vol 23 (7) ◽  
pp. 979-984 ◽  
Author(s):  
Manlio Sanesi ◽  
Vittoriano Wagner
Keyword(s):  
Adsorption Energy ◽  
Surface Coverage ◽  
Aluminium Oxide ◽  
Dispersion Forces ◽  
Heats Of Adsorption ◽  
Linear Alkanes ◽  
London Dispersion ◽  
London Dispersion Forces

The heats of adsorption on weakly activated γ-aluminium oxide for a number of linear alkanes (from n-butane to n-nonane) and for 2.2.4-trimethylpentane have been determined by GSC and extrapolated to zero surface coverage.The dependance of the adsorption energy on the number of carbon atoms is discussed on the basis of the bidimensional gas model: it is shown that the interactions of the adsorbates with the oxidic surface are mainly due to London dispersion forces.

London Dispersion Forces between Unlike Molecules

1952 ◽  
Vol 20 (11) ◽  
pp. 1812-1812 ◽  
Author(s):  
James F. Hornig ◽  
Joseph O. Hirschfelder
Keyword(s):  
Dispersion Forces ◽  
London Dispersion ◽  
London Dispersion Forces

scholarly journals DFT investigation of role of N – H⋯O and N – H⋯π interactions in the stabilization of the hydrogen bonded complexes of anisole with aromatic amines

Heliyon ◽  
2019 ◽  
Vol 5 (7) ◽  
pp. e02155 ◽  
Author(s):  
Anil Singh Rajpurohit ◽  
R. Rajesh ◽  
R. Raj Muhamed ◽  
M. Jaccob ◽  
A. Justin Adaikala Baskar ◽  
...  
Keyword(s):  
Aromatic Amines ◽  
Π Interactions ◽  
Bonded Complexes ◽  
Hydrogen Bonded

scholarly journals London dispersion forces without density distortion: a path to first principles inclusion in density functional theory

2020 ◽  
Vol 224 ◽  
pp. 145-165
Author(s):  
Derk Pieter Kooi ◽  
Paola Gori-Giorgi
Keyword(s):  
Ground State ◽  
First Principles ◽  
Density Functional ◽  
Dispersion Forces ◽  
Density Functionals ◽  
Functional Theory ◽  
Exchange Correlation ◽  
State Densities ◽  
London Dispersion ◽  
London Dispersion Forces

We analyse a path to construct density functionals for the dispersion interaction energy from an expression in terms of the ground state densities and exchange–correlation holes of the isolated fragments.

Sign in / Sign up

Export Citation Format

Share Document