BookDOI
Hydrogen Bonding - New Insights
Reads0
Chats0
TLDR
In this paper, the authors present an analysis of the structure properties of hydrogen-Bonded solids in terms of the potential energy shape for the Proton Motion in Hydrogen Bonds Reflected in Infrared and NMR Spectra.Abstract:
I. Characterization of Hydrogen Bonding: From van der Waals Interactions to Covalency, R. Parthasarathi and V. Subramanian II. Intramolecular Hydrogen Bonds. Methodologies and Strategies for their Strength Evaluation, Giuseppe Buemi III. Changes of Electron Properties in the Formation of Hydrogen Bonds, Luis F. Pacios IV. Weak to Strong Hydrogen Bonds, Han Myoung Lee, N. Jiten Singh, Kwang S. Kim V. The Nature of the C-H...X Intermolecular Interactions in Molecular Crystals. A Theoretical Perspective, Fernando Mota, Emiliana D'Oria VI. Weak hydrogen bonds involving transition elements, Maria Jose Calhorda VII. Contribution of CH**X Hydrogen Bonds to Biomolecular Structure, Steve Scheiner VIII. Neutral Blue-Shifting and Blue-Shifted Hydrogen Bonds, Eugene S. Kryachko IX. Hydrogen-Hydrogen Bonding: the Non-Electrostatic Limit of Closed-Shell Interaction Between two Hydrogen Atoms (A Review), Cherif F. Matta X. Potential Energy Shape for the Proton Motion in Hydrogen Bonds Reflected in Infrared and NMR Spectra, Gleb S. Denisov, Janez Mavri and Lucjan Sobczyk XI. Molecular Geometry - Distant Consequences of H-Bonding, Tadeusz M. Krygowski and Joanna E. Zachara XII. Topology of X-ray charge density of hydrogen bonds, Tibor S. Koritsanszky XIII. Structure-Property Relations for Hydrogen-Bonded Solids, Andrzej Katrusiak XIV. Unrevealing the Nature of Hydrogen Bonds: p -Electron delocalization Shapes H-Bond Features. Intramolecular and Intermolecular Resonance-Assisted Hydrogen Bonds, Slawomir J.Grabowski and Jerzy Leszczynskiread more
Citations
More filters
Journal ArticleDOI
Definition of the hydrogen bond (IUPAC Recommendations 2011)
Elangannan Arunan,Gautam R. Desiraju,Roger A. Klein,Joanna Sadlej,Steve Scheiner,Ibon Alkorta,David C. Clary,Robert H. Crabtree,J. J. Dannenberg,Pavel Hobza,Henrik G. Kjaergaard,Anthony C. Legon,Benedetta Mennucci,David J. Nesbitt +13 more
TL;DR: In this paper, a novel definition for the hydrogen bond is proposed, which takes into account the theoretical and experimental knowledge acquired over the past century, and six criteria are listed that could be used as evidence for the presence of a hydrogen bond.
Journal ArticleDOI
What is the covalency of hydrogen bonding
TL;DR: The decomposition of the interaction energy is useful to analyze hydrogen bonding and particularly to answer the question of what does the covalency of hydrogen bonding mean.
Journal ArticleDOI
Defining the hydrogen bond: An account (IUPAC Technical Report)
Elangannan Arunan,Gautam R. Desiraju,Roger A. Klein,Joanna Sadlej,Steve Scheiner,Ibon Alkorta,David C. Clary,Robert H. Crabtree,J. J. Dannenberg,Pavel Hobza,Henrik G. Kjaergaard,Anthony C. Legon,Benedetta Mennucci,David J. Nesbitt +13 more
TL;DR: In this paper, a new definition of the hydrogen bond is proposed, which emphasizes the need for evidence, and a list of criteria has been provided, and these can be used as evidence for hydrogen bond formation.
Journal ArticleDOI
Cooperativity in Noncovalent Interactions.
Journal ArticleDOI
Bader’s Theory of Atoms in Molecules (AIM) and its Applications to Chemical Bonding
TL;DR: In this paper, the basic theory and applications of the Quantum Theory of Atoms in Molecules have been presented with examples from different categories of weak and hydrogen-bonded molecular systems.
References
More filters
Book
Intermolecular and surface forces
TL;DR: The forces between atoms and molecules are discussed in detail in this article, including the van der Waals forces between surfaces, and the forces between particles and surfaces, as well as their interactions with other forces.
Book
Density-functional theory of atoms and molecules
TL;DR: In this paper, a review of current studies in density functional theory and density matrix functional theory is presented, with special attention to the possible applications within chemistry, including the concept of an atom in a molecule, calculation of electronegativities from the Xα method, pressure, Gibbs-Duhem equation, Maxwell relations and stability conditions.
Book
Atoms in molecules : a quantum theory
TL;DR: In this article, the quantum atom and the topology of the charge desnity of a quantum atom are discussed, as well as the mechanics of an atom in a molecule.