Track topics on Twitter Track topics that are important to you
Different types of noncovalent interactions such as, for example, halogen bond, hydrogen bond, and dihalogen bond are analyzed. The analysis is based on ab initio calculations which were performed on complexes of the F(3)CCl molecule. This choice is connected with the features of the Cl atom which may act as the Lewis acid and also as the Lewis base center. Such a dual role is a consequence of the existence of negative and positive regions of the electrostatic potential of the Cl center. Hence, the F(3)CCl molecule forms complexes linked by various interactions. The formation of the complexes leads to the electron charge redistribution which is reflected in the quantum theory of atoms in molecules (QTAIM) characteristics. Numerous correlations and tendencies were found here between QTAIM, geometrical and energetic parameters. It was found that the mechanism of the formation of complexes linked through various interactions is generally the same as that known for the hydrogen bond formation. The dependencies and QTAIM characteristics considered here are in agreement with Bent's rule.
Faculty of Chemistry, University of the Basque Country UPV/EHU , and Donostia International Physics Center (DIPC), P.K. 1072, 20080 Donostia, Euskadi, Spain, and IKERBASQUE , Basque Foundation for Science, 48011 Bilbao, Euskadi, Spain.
This article was published in the following journal.
Name: The journal of physical chemistry. A
Carbon monoxide can interact with two dihalogen molecules XY (X, Y=Cl, Br) in the form of X(Y)⋯COX(Y)⋯CO⋯X(Y)X(Y) trimeric complex, and their nature and characteristics were investigated at MP2/...
The geometries and energetics of molecular self-assembly structures that contain a sequential network of cyclic halogen-bonding interactions are investigated theoretically. The strength of the halogen...
The major breakthrough reported in this work is the discovery of likely halogen bond-driven self-disproportionation of enantiomers (SDE). Taking into account that the halogen bonding interactions can ...
Chalcogen bonding is a little explored non-covalent interaction similar to halogen bonding. This manuscript describes the first application of selenium-based chalcogen bond donors as Lewis acids in or...
The halogen-bonded cocrystal of 1,4-diiodotetrafluorobenzene (1,4-DITFB) with the butterfly-shape non-planar heterocyclic compound phenothiazine (PHT) was successfully assembled by the conventional so...
The Veterans Health Administration (VHA) has stated the need for a brief screening instrument that can assist with the triage of the enormous number of returning OEF/OIF veterans with conc...
The purpose of this study is to compare the clinical performance of three dental adhesive systems used to bond Class V cavity fillings in adult teeth.
Damage to teeth from decay or previous old silver fillings can be repaired with tooth-coloured filling materials that stick to the tooth. These materials have been around for some years an...
The purpose of this study is to assess the interactions between intravenous methamphetamine and aripiprazole.
This study examines the effect of 1800 mg/day standardized Brooke Bond black tea extract, equivalent to 400 mg flavonoids, on Flow Mediated Dilation in healthy Indian males.
Those characteristics that distinguish one SEX from the other. The primary sex characteristics are the OVARIES and TESTES and their related hormones. Secondary sex characteristics are those which are masculine or feminine but not directly related to reproduction.
The interactions between individuals of different generations. These interactions include communication, caring, accountability, loyalty, and even conflict between related or non-related individuals.
The study of the characteristics, behavior, and internal structures of the atomic nucleus and its interactions with other nuclei. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 6th ed)
Screening techniques first developed in yeast to identify genes encoding interacting proteins. Variations are used to evaluate interplay between proteins and other molecules. Two-hybrid techniques refer to analysis for protein-protein interactions, one-hybrid for DNA-protein interactions, three-hybrid interactions for RNA-protein interactions or ligand-based interactions. Reverse n-hybrid techniques refer to analysis for mutations or other small molecules that dissociate known interactions.
The interactions of particles responsible for their scattering and transformations (decays and reactions). Because of interactions, an isolated particle may decay into other particles. Two particles passing near each other may transform, perhaps into the same particles but with changed momenta (elastic scattering) or into other particles (inelastic scattering). Interactions fall into three groups: strong, electromagnetic, and weak. (From McGraw-Hill Encyclopedia of Science & Technology, 7th ed)
Collaborations in biotechnology
Commercial and academic collaborations are used throughout the biotechnology and pharmaceutical sector to enhance research and product development. Collaborations can take the form of research and evaluation agreements, licensing, partnerships etc. ...