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Aerogen Bonding Interaction: A New Supramolecular Force?
Author(s) -
Bauzá Antonio,
Frontera Antonio
Publication year - 2015
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201502571
Subject(s) - supramolecular chemistry , lone pair , hydrogen bond , chemistry , non covalent interactions , ab initio quantum chemistry methods , covalent bond , crystallography , ab initio , chemical physics , cooperativity , computational chemistry , crystal structure , molecule , organic chemistry , biochemistry
We report evidence of the favorable noncovalent interaction between a covalently bonded atom of Group 18 (known as noble gases or aerogens) and a negative site, for example, a lone pair of a Lewis base or an anion. It involves a region of positive electrostatic potential (σ‐hole), therefore it is a totally new and unexplored σ‐hole‐based interaction, namely aerogen bonding. We demonstrate for the first time the existence of σ‐hole regions in aerogen derivatives by means of high‐level ab initio calculations. In addition, several crystal structures retrieved from the Cambridge Structural Database (CSD) give reliability to the calculations. Energetically, aerogen bonds are comparable to hydrogen bonds and other σ‐hole‐based interactions but less directional. They are expected to be important in xenon chemistry.