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Royal Society of Chemistry, Dalton Transactions, 46(44), p. 20168-20175, 2015

DOI: 10.1039/c5dt03388h

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Charge-displacement analysis as a tool to study chalcogen bonded adducts and predict their association constants in solution

Journal article published in 2015 by Gianluca Ciancaleoni ORCID, Claudio Santi, Mirco Ragni, Antonio Luiz Braga
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

The secondary interaction between a polarized chalcogen atom and different Lewis bases, either anionic or neutral, has been studied by charge displacement analysis. Using charge displacement analysis, the charge rearrangement in the adduct upon the formation of the interaction has been quantified and described in great detail. By comparing the theoretical results with the experimental association con- stants, two linear correlations can be found for anionic and neutral bases. Such correlations can be used to reliably predict the association constants of adducts for which experimental data are not available yet.