Two-component molecular crystals: relationship between the entropy term and the molecular volume of co-crystal formation

CrystEngComm ◽  
2018 ◽  
Vol 20 (26) ◽  
pp. 3634-3637 ◽  
Author(s):  
German L. Perlovich
Keyword(s):  
Molecular Crystals ◽  
Molecular Volume ◽  
Crystal Formation ◽  
Entropy Term ◽  
Two Component

There are very few articles that investigate the thermodynamic formation of two-component molecular crystals.

Generation of Chirality by the Aggregation of Column Structures for Two-Component Molecular Crystals Composed of Chloronitrobenzoic Acids and p -Anisidine

2002 ◽  
Vol 7 (6) ◽  
pp. 397-404 ◽  
Author(s):  
Teruki Sugiyama ◽  
Jiben Meng ◽  
Teruo Matsuura
Keyword(s):  
Molecular Crystals ◽  
Two Component

Generation of Chirality in Two-Component Molecular Crystals of Tryptamine and Achiral Carboxylic Acids

1999 ◽  
Vol 64 (11) ◽  
pp. 3916-3921 ◽  
Author(s):  
Hideko Koshima ◽  
Shinji Honke ◽  
Junko Fujita
Keyword(s):  
Carboxylic Acids ◽  
Molecular Crystals ◽  
Two Component

Preparation and Structure of Chiral Two-component Molecular Crystals from 3-(3-Indolyl)propanoic Acid and Aza Aromatic Compounds

1999 ◽  
Vol 11 (1) ◽  
pp. 57-66 ◽  
Author(s):  
Hideko Koshima ◽  
Eiji Hayashi ◽  
Teruo Matsuura
Keyword(s):  
Aromatic Compounds ◽  
Molecular Crystals ◽  
Propanoic Acid ◽  
Two Component

scholarly journals Modeling of the optical properties of molecular crystals

2014 ◽  
Vol 70 (a1) ◽  
pp. C384-C384
Author(s):  
Tomasz Seidler ◽  
Marlena Gryl ◽  
Benoît Champagne ◽  
Katarzyna Stadnicka
Keyword(s):  
Good Accuracy ◽  
Molecular Crystals ◽  
Electronic Structure Calculations ◽  
Organic Crystals ◽  
Susceptibility Tensor ◽  
Uniform Embedding ◽  
Two Component ◽  
Interaction Scheme ◽  
Electric Susceptibility ◽  
Structure Calculations

In this contribution we present our current findings in the calculations of the linear and second-order nonlinear electric susceptibility tensor components of organic crystals. The methodology used for this purpose is based on a combination of the electrostatic interaction scheme developed by Hurst and Munn (Hurst & Munn, 1986) with electronic structure calculations for the isolated molecules. Our modification of the method consists in i) running periodic boundary condition (PBC) calculations for an adequate chromophore geometry (either experimental or optimized) to obtain atomic charges and in ii) performing the calculations of the molecular properties within a non-uniform embedding field generated by point charges located spherically around the reference molecule. Using this approach good accuracy is achieved on the electric susceptibility tensor components in comparison with the uniform dipole electric field (Seidler et al., 2013). We extend here the application of this method to other molecular crystals as well as we present the first attempt to predict the chi(1) and chi(2) components of two-component organic crystals (Gryl et al., 2014).

ChemInform Abstract: Solid-State Photoreaction in Two-Component Molecular Crystals of Thienylacetic Acids and Aza Aromatic Compounds.

ChemInform ◽  
2000 ◽  
Vol 31 (48) ◽  
pp. no-no
Author(s):  
Hideko Koshima ◽  
Daisuke Matsushige ◽  
Masashi Miyauchi ◽  
Junko Fujita
Keyword(s):  
Solid State ◽  
Aromatic Compounds ◽  
Molecular Crystals ◽  
Two Component

THE MOLECULAR DIAMETER OF DEUTERIUM AS DETERMINED BY VISCOSITY MEASUREMENTS

1935 ◽  
Vol 12 (1) ◽  
pp. 57-62 ◽  
Author(s):  
A. B. Van Cleave ◽  
O. Maass
Keyword(s):  
Liquid Water ◽  
Hydrogen Molecule ◽  
Deuterium Oxide ◽  
Molecular Volume ◽  
Two Component System ◽  
Component System ◽  
Viscosity Measurements ◽  
Two Component ◽  
The Difference ◽  
Deuterium Molecule

The viscosities of deuterium over the range 23 to −183 °C. have been measured. The viscosities of the two-component system deuterium-hydrogen have been measured over the whole concentration range at 22 °C. The results show that the deuterium molecule has the same diameter as the hydrogen molecule. The interest attached to the viscosity results for the two-component system are pointed out. The difference between the molecular volume of liquid deuterium oxide and that of liquid water is attributed by the authors to a difference in equilibrium between associated and non-associated molecules in the respective systems.

Generation of chirality in two-component molecular crystals from achiral molecules

2000 ◽  
Vol 552 (1-3) ◽  
pp. 111-116 ◽  
Author(s):  
H. Koshima
Keyword(s):  
Molecular Crystals ◽  
Two Component

Photoreaction in two-component molecular crystals of α-hydroxycarboxylic acids and aza aromatic compounds

1999 ◽  
Vol 129 (3) ◽  
pp. 121-128 ◽  
Author(s):  
H Koshima ◽  
E Hayashi ◽  
K Shirafuji ◽  
M Hamada ◽  
D Matsushige ◽  
...  
Keyword(s):  
Aromatic Compounds ◽  
Molecular Crystals ◽  
Hydroxycarboxylic Acids ◽  
Two Component
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