scholarly journals The quenching of isopropyl group rotation in van der Waals molecular solids

2008 ◽  
Vol 128 (12) ◽  
pp. 124502 ◽  
Author(s):  
Xianlong Wang ◽  
Arnold L. Rheingold ◽  
Antonio G. DiPasquale ◽  
Frank B. Mallory ◽  
Clelia W. Mallory ◽  
...  
Keyword(s):  
Van Der Waals ◽  
Molecular Solids ◽  
Isopropyl Group ◽  
Group Rotation

Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative

CrystEngComm ◽  
2015 ◽  
Vol 17 (39) ◽  
pp. 7482-7485 ◽  
Author(s):  
Umesh D. Pete ◽  
Amol G. Dikundwar ◽  
Vaishali M. Sharma ◽  
Shridhar P. Gejji ◽  
Ratnamala S. Bendre ◽  
...  
Keyword(s):  
Phase Transformation ◽  
Solid State ◽  
Single Crystal ◽  
Crystal Phase ◽  
Thermal Stimulus ◽  
Isopropyl Group ◽  
Group Rotation ◽  
Crystal Phase Transformation

Isopropyl group rotation observed in a single crystal of TACH appears to be a result of the counterbalance of molecular energetics and supramolecular packing in response to the thermal stimulus.

scholarly journals Note: Methyl and t-butyl group rotation in van der Waals solids

2018 ◽  
Vol 148 (10) ◽  
pp. 106101
Author(s):  
Peter A. Beckmann ◽  
Arnold L. Rheingold ◽  
Jason Schmink
Keyword(s):  
Van Der Waals ◽  
Butyl Group ◽  
Group Rotation

Approaches to the Study of van der Waals Interactions in Solids

1993 ◽  
Vol 48 (3) ◽  
pp. 471-477
Author(s):  
Alarich Weiss
Keyword(s):  
Hyperfine Interactions ◽  
Van Der Waals ◽  
Elementary Cell ◽  
Intramolecular Interactions ◽  
Van Der Waals Interactions ◽  
Molecular Solids ◽  
Crystal Fields ◽  
Solid States ◽  
The Individual ◽  
Intermolecular Distances

Abstract Van der Waals forces are of short range. In molecular crystals the interacting atoms or groups of atoms of a molecule are fixed in their position with respect to the atoms of the neighboring molecules. From measurements of the intermolecular interactions via properties which can be assigned to the individual atoms (groups), such as hyperfine interactions or vibrational frequencies, as a function of the intermolecular distances, the van der Waals (vdW) potentials may be evaluated. We propose the use of discrete changes of intermolecular distances for studying vdW-interactions, the method of “Several Solid States”, a) by combining a molecule A with different moleculs Bi, in stoichiometric proportions and in a crystallographically ordered way to molecular solid complexes; b) by investigating the changes of atomic (group) properties in systems with two ore more solid phases appearing in the phase diagram as a function of temperature (pressure). This way of using several solid states is offered only by chance; c) by using the fact that in many molecular solids there is more than one molecule in the asymmetric unit of the elementary cell in the crystal structure, and therefore several vdW-potentials for chemically identical intermolecular neighbors; d) by the synthesis of compounds containing the atoms (groups), the vdW-interactions of which one wants to study, with one or more centers of chirality. With one center of asymmetry in the molecule one finds the molecule considered in two different situations of vdW-contacts at least, and, in first approximation, one can assume identical intramolecular interactions (besides the optical activity). Two chirality centers within the molecule lead to three (at least) different crystal fields: a) (±); b) (− −) respectively (+ +); c) (− −, + +). Examples of hyperfine interaction studies, based on this "Several Solid States" concept are discussed.

Infrared diode laser jet spectroscopy of the van der Waals complex (N2O)2

1997 ◽  
Vol 91 (4) ◽  
pp. 689-696 ◽  
Author(s):  
HAI-BO QIAN ◽  
WOUTER HERREBOUT ◽  
BRIAN HOWARD
Keyword(s):  
Diode Laser ◽  
Van Der Waals ◽  
Van Der Waals Complex
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