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Ciancaleoni G, Santi C, Ragni M, et al. Charge-displacement analysis as a tool to study chalcogen bonded adducts and predict their association constants in solution. Dalton Trans. 2015;44(46):20168-75doi: 10.1039/c5dt03388h.
Ciancaleoni, G., Santi, C., Ragni, M., & Braga, A. L. (2015). Charge-displacement analysis as a tool to study chalcogen bonded adducts and predict their association constants in solution. Dalton transactions (Cambridge, England : 2003), 44(46), 20168-75. https://doi.org/10.1039/c5dt03388h
Ciancaleoni, Gianluca, et al. "Charge-displacement analysis as a tool to study chalcogen bonded adducts and predict their association constants in solution." Dalton transactions (Cambridge, England : 2003) vol. 44,46 (2015): 20168-75. doi: https://doi.org/10.1039/c5dt03388h
Ciancaleoni G, Santi C, Ragni M, Braga AL. Charge-displacement analysis as a tool to study chalcogen bonded adducts and predict their association constants in solution. Dalton Trans. 2015 Dec 14;44(46):20168-75. doi: 10.1039/c5dt03388h. PMID: 26530466.
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Dalton Trans. 2015 Dec 14;44(46):20168-75. doi: 10.1039/c5dt03388h.

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

Dalton transactions (Cambridge, England : 2003)

Gianluca Ciancaleoni, Claudio Santi, Mirco Ragni, Antonio Luiz Braga

Affiliations

  1. Departamento de Química, Universidade Federal de Santa Catarina, 88040-900 Florianópolis, SC, Brazil. [email protected].
  2. Dipartimento di Scienze Farmaceutiche, Università di Perugia, Via del Liceo 1, 06134, Perugia, Italy.
  3. Departamento de Física, Universidade Estadual de Feira de Santana, 44036-900 Feira de Santana, BA, Brazil.

PMID: 26530466 DOI: 10.1039/c5dt03388h

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 constants, 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.

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