Experimental And Computational Evidence Of Halogen Bonds Involving Astatine

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Halogen bonding in mono- and dihydrated halobenzene

halogen bond was found to be due to the electrostatics of the system rather than resonance effects. A combined experimental (resonant two-photon ionisation spectroscopy) and computational study on homoclusters of chlorobenzene did not find evidence of halogen bonding.[37]

Opened PhD position in Nantes (France) A H B

2 Experimental and computational evidence of halogen bonds involving astatine, N. Guo, R. Maurice, D. Teze, J. Graton, J. Champion, G. Montavon & N. Galland, Nat. Chem., doi: 10.1038/s41557-018-0011-1, 2018. 3 Quantum calculations of At-mediated halogen bonds: on the influence of relativistic effects, N. Galland, G. Montavon, J.-Y. Le Questel & J. Graton, New J. Chem., doi: 10.1039/C8NJ00484F, 2018.

Offre de Thèse 2018 L HALOGENE IMPLIQUANT L A

2 Experimental and computational evidence of halogen bonds involving astatine, N. Guo, R. Maurice, D. Teze, J. Graton, J. Champion, G. Montavon & N. Galland, Nat. Chem., doi: 10.1038/s41557-018-0011-1, 2018. 3 Quantum calculations of At-mediated halogen bonds: on the influence of relativistic effects, N. Galland, G. Montavon, J.-Y. Le Questel &

The Halogen Bond - American Chemical Society

this hypothesis,33,34 astatine is a radioactive element with short-lived isotopes, little is known about its chemistry,35 and no halogen-bonded adducts involving At have been reported, so far. The whole 20th century saw a flourishing of the research activity in the field. Lots of experimental observations and

Relativistic Effects on NMR Parameters of Halogen-Bonded

2/12/2019  effects in the theoretical treatment, [23,24], a recent paper on halogen bonds involving astatine clearly shows the important role these effects may have in the description of the bonds we are dealing with [25]. In this article, the complexes between all the dihalogen molecules including F, Cl, Br, I, and At and four Lewis bases (NH 3, PH 3, H