π covalency in the halogen bond

作者: Cameron W. Kellett , Pierre Kennepohl , Curtis P. Berlinguette

DOI: 10.1038/S41467-020-17122-7

关键词:

摘要: Halogen bonds are a highly directional class of intermolecular interactions widely employed in chemistry and chemical biology. This linear interaction is commonly viewed to be …

参考文章(64)
Diptarka Hait, Martin Head-Gordon, Delocalization Errors in Density Functional Theory Are Essentially Quadratic in Fractional Occupation Number. Journal of Physical Chemistry Letters. ,vol. 9, pp. 6280- 6288 ,(2018) , 10.1021/ACS.JPCLETT.8B02417
Shi Jun Ang, Adrian M. Mak, Ming Wah Wong, Nature of halogen bonding involving π-systems, nitroxide radicals and carbenes: a highlight of the importance of charge transfer. Physical Chemistry Chemical Physics. ,vol. 20, pp. 26463- 26478 ,(2018) , 10.1039/C8CP04075C
Cameron W. Kellett, Wesley B. Swords, Michael D. Turlington, Gerald J. Meyer, Curtis P. Berlinguette, Resolving orbital pathways for intermolecular electron transfer Nature Communications. ,vol. 9, pp. 1- 10 ,(2018) , 10.1038/S41467-018-07263-1
Michal H. Kolář, Pavel Hobza, Computer Modeling of Halogen Bonds and Other σ-Hole Interactions Chemical Reviews. ,vol. 116, pp. 5155- 5187 ,(2016) , 10.1021/ACS.CHEMREV.5B00560
Timothy Clark, Matthias Hennemann, Jane S. Murray, Peter Politzer, Halogen bonding: the σ-hole Journal of Molecular Modeling. ,vol. 13, pp. 291- 296 ,(2007) , 10.1007/S00894-006-0130-2
Aubrey L McClellan, George C. Pimentel, Roger Hayward, The hydrogen bond ,(1960)
Peter Politzer, Pat Lane, Monica C. Concha, Yuguang Ma, Jane S. Murray, An overview of halogen bonding. Journal of Molecular Modeling. ,vol. 13, pp. 305- 311 ,(2007) , 10.1007/S00894-006-0154-7
Robert S. Mulliken, MOLECULAR COMPOUNDS AND THEIR SPECTRA. 3. THE INTERACTION OF ELECTRON DONORS AND ACCEPTORS The Journal of Physical Chemistry. ,vol. 56, pp. 801- 822 ,(1952) , 10.1021/J150499A001
Rainer Wilcken, Markus O. Zimmermann, Andreas Lange, Andreas C. Joerger, Frank M. Boeckler, Principles and applications of halogen bonding in medicinal chemistry and chemical biology. Journal of Medicinal Chemistry. ,vol. 56, pp. 1363- 1388 ,(2013) , 10.1021/JM3012068