Lewis Acid-lewis Base Interactions: Mechanisms And Related Phenomena

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A01=Slawomir J Grabowski
Author_Slawomir J Grabowski
Category=PNK
Category=PNN
Electron Charge Shifts
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Experimental and Theoretical Approaches
Interactions and Changes of Conformations
Interactions and Reactions
Intramolecular Interactions
Lewis Acid-Lewis Base Interactions
Lewis AcidAcAEURA"Lewis Base Interactions
Mechanisms of Interactions
Valence Shell Electron Pair Repulsion (VSEPR) Model

Product details

  • ISBN 9789819801435
  • Publication Date: 21 May 2025
  • Publisher: World Scientific Publishing Co Pte Ltd
  • Publication City/Country: SG
  • Product Form: Hardback
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Inter- and intramolecular interactions that correspond to contacts between Lewis acid and Lewis base sites are considered in this monograph. Various types of interactions are described — halogen bond, pnictogen bond, hydrogen bond, etc. — and the mechanisms of these interactions as well as accompanying phenomena are presented. While we focus mainly on the σ-hole and π-hole concepts that explain the majority of such interactions, recent ideas that the interactions may be treated as the preliminary stages of chemical reactions, as well as the notion that the formation of interactions is in agreement with the Valence Shell Electron Pair Repulsion model, are also discussed.Chapters are also dedicated to different experimental and theoretical approaches that are useful to analyze Lewis acid-base interactions. The crystal structures are the main source on molecular structures and interactions. Thus, we cover conventional experimental tools such as X-ray and neutron diffraction approaches, as well as newer methods for experimental electron density. An approach applied to analyze Hirshfeld surfaces is also described. On the computational front, the Quantum Theory of Atoms in Molecules (QTAIM) method, Non-Covalent Interactions (NCI) approach, Electron Localization Function (ELF) method, Natural Bond Orbital (NBO) approach, the Energy Decomposition Analysis (EDA), the Car-Parinello molecular dynamics (CPMD), and others are included.

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