The role of non-covalent interactions in some 2-trifluoromethylchromones in the solid state

2017 ◽  
Vol 41 (23) ◽  
pp. 14659-14674 ◽  
Author(s):  
Christian David Alcívar León ◽  
Gustavo Alberto Echeverría ◽  
Oscar Enrique Piro ◽  
Sonia Elizabeth Ulic ◽  
Jorge Luis Jios ◽  
...  
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Non Covalent Interactions ◽  
Covalent Interactions ◽  
Organic Fluorine

Intermolecular interactions in chromone systems and criteria for the existence of C–H⋯F hydrogen bonds involving organic fluorine have been focused on in this work.

Stabilizing, non-covalent interactions in the solid state structure of novel aryltin hydrides and halogenides

2014 ◽  
Vol 92 (6) ◽  
pp. 556-564 ◽  
Author(s):  
Cathrin Zeppek ◽  
Roland C. Fischer ◽  
Ana Torvisco ◽  
Frank Uhlig
Keyword(s):  
Solid State ◽  
Intermolecular Interactions ◽  
Structural Parameters ◽  
State Structure ◽  
X Ray Diffraction ◽  
Aromatic Substituent ◽  
X Ray ◽  
Π Interactions ◽  
Non Covalent Interactions ◽  
Covalent Interactions

A group of novel aryltin chlorides, bromides and hydrides (ArnSnY4-n) (Ar = o-tolyl, 2,6-xylyl, 1-naphthyl, 2-naphthyl, p-n-butylphenyl; Y = Cl, Br, H) have been synthesized and structurally characterized via X-ray diffraction. These compounds display noncovalent intermolecular interactions in the form of edge to face, π–π stacking and C–H···π interactions resulting in discrete arrangements in the solid state. The strength of these interactions and their effect on resulting structural parameters, as well as the consequence of the aromatic substituent on the type of interactions present, will be highlighted and discussed.

Role of non-covalent interactions in the supramolecular architectures of mercury(ii) diphenyldithiophosphates: An experimental and theoretical investigation

2021 ◽  
Vol 45 (4) ◽  
pp. 2249-2263
Author(s):  
Pretam Kumar ◽  
Snehasis Banerjee ◽  
Anu Radha ◽  
Tahira Firdoos ◽  
Subash Chandra Sahoo ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Supramolecular Organization ◽  
Π Interactions ◽  
Supramolecular Architectures ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The H-bond, spodium bond and CH⋯π interactions playing an important role in the supramolecular organization of two mercury(ii) diphenyldithiophosphate complexes have been discussed.

The important role of non-covalent interactions for the vibrational circular dichroism of lactic acid in aqueous solution

2021 ◽  
Author(s):  
Sascha Jähnigen ◽  
Daniel Sebastiani ◽  
Rodolphe Vuilleumier
Keyword(s):  
Lactic Acid ◽  
Circular Dichroism ◽  
Computational Study ◽  
Bulk Water ◽  
Vibrational Circular Dichroism ◽  
Ab Initio Molecular Dynamics ◽  
Non Covalent Interactions ◽  
Circular Dichroïsm ◽  
Covalent Interactions

We present a computational study of vibrational circular dichroism (VCD) in solutions of (S)-lactic acid, relying on ab initio molecular dynamics (AIMD) and full solvation with bulk water. We discuss...

scholarly journals The role of non-covalent interactions on CO bulk oxidation on Pt single crystal electrodes in alkaline electrolytes

2015 ◽  
Vol 152 ◽  
pp. 38-43 ◽  
Author(s):  
Kensaku Kodama ◽  
Yu Morimoto ◽  
Dusan S. Strmcnik ◽  
Nenad M. Markovic
Keyword(s):  
Single Crystal ◽  
Alkaline Electrolytes ◽  
Non Covalent Interactions ◽  
Covalent Interactions
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