The many flavours of halogen bonds - message from experimental electron density and Raman spectroscopy.

ABSTRACT: Experimental electron-density studies based on high-resolution diffraction experiments allow halogen bonds between heavy halogens to be classified. The topological properties of the electron density in Cl...Cl contacts vary smoothly as a function of the interaction distance. The situation is less straightforward for halogen bonds between iodine and small electronegative nucleophiles, such as nitrogen or oxygen, where the electron density in the bond critical point does not simply increase for shorter distances. The number of successful charge-density studies involving iodine is small, but at least individual examples for three cases have been observed. (a) Very short halogen bonds between electron-rich nucleophiles and heavy halogen atoms resemble three-centre-four-electron bonds, with a r

SUBMITTER: Wang R 

PROVIDER: S-EPMC6727171 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature