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Non-covalent interactions

About: Non-covalent interactions is a(n) research topic. Over the lifetime, 3469 publication(s) have been published within this topic receiving 161998 citation(s). more


Open accessBook
01 Jan 1985-
Abstract: The Forces between Atoms and Molecules. Principles and Concepts. Historical Perspective. Some Thermodynamic Aspects of Intermolecular Forces. Strong Intermolecular Forces: Covalent and Coulomb Interactions. Interactions Involving Polar Molecules. Interactions Involving the Polarization of Molecules. van der Waals Forces. Repulsive Forces, Total Intermolecular Pair Potentials, and Liquid Structure. Special Interactions. Hydrogen-Bonding, Hydrophobic, and Hydrophilic Interactions. The Forces between Particles and Surfaces. Some Unifying Concepts in Intermolecular and Interparticle Forces. Contrasts between Intermolecular, Interparticle, and Intersurface Forces. van der Waals Forces between Surfaces. Electrostatic Forces between Surfaces in Liquids. Solvation, Structural and Hydration Forces. Steric and Fluctuation Forces. Adhesion. Fluid-Like Structures and Self-Assembling Systems. Micelles, Bilayers, and Biological Membranes. Thermodynamic Principles of Self-Assembly. Aggregation of Amphiphilic Molecules into Micelles, Bilayers, Vesicles, and Biological Membranes. The Interactions between Lipid Bilayers and Biological Membranes. References. Index. more

18,041 Citations

Thomas Steiner1Institutions (1)
04 Jan 2002-Angewandte Chemie
Abstract: The hydrogen bond is the most important of all directional intermolecular interactions. It is operative in determining molecular conformation, molecular aggregation, and the function of a vast number of chemical systems ranging from inorganic to biological. Research into hydrogen bonds experienced a stagnant period in the 1980s, but re-opened around 1990, and has been in rapid development since then. In terms of modern concepts, the hydrogen bond is understood as a very broad phenomenon, and it is accepted that there are open borders to other effects. There are dozens of different types of X-H.A hydrogen bonds that occur commonly in the condensed phases, and in addition there are innumerable less common ones. Dissociation energies span more than two orders of magnitude (about 0.2-40 kcal mol(-1)). Within this range, the nature of the interaction is not constant, but its electrostatic, covalent, and dispersion contributions vary in their relative weights. The hydrogen bond has broad transition regions that merge continuously with the covalent bond, the van der Waals interaction, the ionic interaction, and also the cation-pi interaction. All hydrogen bonds can be considered as incipient proton transfer reactions, and for strong hydrogen bonds, this reaction can be in a very advanced state. In this review, a coherent survey is given on all these matters. more

Topics: Low-barrier hydrogen bond (68%), Chemical bond (65%), Bond energy (64%) more

4,729 Citations

Open accessJournal ArticleDOI: 10.1021/JA100936W
Abstract: Molecular structure does not easily identify the intricate noncovalent interactions that govern many areas of biology and chemistry, including design of new materials and drugs. We develop an approach to detect noncovalent interactions in real space, based on the electron density and its derivatives. Our approach reveals the underlying chemistry that compliments the covalent structure. It provides a rich representation of van der Waals interactions, hydrogen bonds, and steric repulsion in small molecules, molecular complexes, and solids. Most importantly, the method, requiring only knowledge of the atomic coordinates, is efficient and applicable to large systems, such as proteins or DNA. Across these applications, a view of nonbonded interactions emerges as continuous surfaces rather than close contacts between atom pairs, offering rich insight into the design of new and improved ligands. more

4,028 Citations

Journal ArticleDOI: 10.1002/ANIE.199523111
Gautam R. Desiraju1Institutions (1)
17 Nov 1995-Angewandte Chemie
Abstract: A crystal of an organic compound is the ultimate supermolecule, and its assembly, governed by chemical and geometrical factors, from individual molecules is the perfect example of solid-state molecular recognition. Implicit in the supramolecular description of a crystal structure is the fact that molecules in a crystal are held together by noncovalent interactions. The need for rational approaches towards solid-state structures of fundamental and practical importance has led to the emergence of crystal engineering, which seeks to understand intermolecular interactions and recognition phenomena in the context of crystal packing. The aim of crystal engineering is to establish reliable connections between molecular and supramolecular structure on the basis of intermolecular interactions. Ideally one would like to identify substructural units in a target supermolecule that can be assembled from logically chosen precursor molecules. Indeed, crystal engineering is a new organic synthesis, and the aim of this article is to show that rather than being only nominally relevant to organic chemistry, this subject is well within the mainstream, being surprisingly similar to traditional organic synthesis in concept. The details vary because one is dealing here with intermolecular interactions rather than with covalent bonds; so this article is divided into two parts. The first is concerned with strategy, highlighting the conceptual relationship between crystal engineering and organic synthesis and introduces the term supramolecular synthon. The second part emphasizes methodology, that is, the chemical and geometrical properties of specific intermolecular interactions. more

Topics: Crystal engineering (63%), Supramolecular assembly (59%), Supramolecular polymers (56%) more

4,016 Citations

02 Nov 1998-Angewandte Chemie
Abstract: Found throughout biology, polyvalent interactions are characterized by the simultaneous binding of multiple ligands on one biological entity to multiple receptors on another (top part of the illustration) and have a number of characteristics that monovalent interactions do not (bottom). In particular, polyvalent interactions can be collectively much stronger than corresponding monovalent interactions, and they can provide the basis for mechanisms of both agonizing and antagonizing biological interactions that are fundamentally different from those available in monovalent systems. more

3,470 Citations

No. of papers in the topic in previous years

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Topic's top 5 most impactful authors

Antonio Frontera

135 papers, 5.4K citations

Antonio Bauzá

57 papers, 2K citations

Ibon Alkorta

33 papers, 1.8K citations

Alexander S. Novikov

30 papers, 250 citations

Steve Scheiner

27 papers, 2.6K citations

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