The intrinsic strength of the halogen bond: electrostatic and covalent contributions described by coupled cluster theory-Reference-Cited by-同舟云学术

The intrinsic strength of the halogen bond: electrostatic and covalent contributions described by coupled cluster theory

Published:2016 Issue:48 Volume:18 Page:33031-33046
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Oliveira Vytor¹²³⁴⁵,Kraka Elfi¹²³⁴⁵,Cremer Dieter¹²³⁴⁵

Affiliation:

1. Computational and Theoretical Chemistry Group (CATCO)

2. Department of Chemistry

3. Southern Methodist University

4. Dallas

5. USA

Abstract

The first quantitative description of the halogen bond strength based on local vibrational stretching force constants determined with CCSD(T).

Funder

Division of Chemistry

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP06613E

Reference121 articles.

1. Computational Tools To Model Halogen Bonds in Medicinal Chemistry

2. P. Ho , in Halogen, ed. I. Bonding, P. Metrangolo and G. Resnati, Topics in Current Chemistry, Springer International Publishing, 2015, vol. 358, pp. 241–276

3. Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology

4. Supramolecular Halogen Bond Passivation of Organic–Inorganic Halide Perovskite Solar Cells

5. Halogen Bonding in Supramolecular Chemistry

Cited by 131 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Understanding the Selective Removal of Perfluoroalkyl and Polyfluoroalkyl Substances via Fluorine–Fluorine Interactions: A Critical Review;Environmental Science & Technology;2024-09-12

2. π-Hole Halogen Bonds Are Sister Interactions to σ-Hole Halogen Bonds;Crystal Growth & Design;2024-09-09

3. The Halogen Bond to Ethers - Prototypic Molecules and Experimental Electron Density;ACS Omega;2024-08-05

4. Definition of the Halogen Bond (IUPAC Recommendations 2013): A Revisit;Crystal Growth & Design;2024-06-24

5. Aerogen Bond, Halogen Bond, Chalcogen Bond, Pnictogen Bond, Tetrel Bond, Triel Bond ... Why So Many Names?;Crystal Growth & Design;2024-05-06