Cover Feature: Cooperative Self‐Assembly in Linear Chains Based on Halogen Bonds (ChemPlusChem 6/2021)
ChemPlusChem, vol. 86, pp. 796
Abstract
The Cover Feature shows how understanding the growth of linear molecular chains is key for the rational design and synthesis of novel supramolecular materials. Using state-of-the-art quantum chemical computations, this work demonstrates that the cooperative properties of halogen bonds in linear chains can be rationalized by the increased charge separation within the σ-electronic system, resulting from a stronger charge transfer from the lone-pair orbital of the nitrogen atom on one unit to the C–halogen acceptor orbital on the adjacent unit. More information can be found in the Full Paper by G. Paragi, C. Fonseca Guerra, and co-workers.
Authors 4
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Affiliation as printed
Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS) Amsterdam Center for Multiscale Modeling (ACMM) Vrije Universiteit Amsterdam De Boelelaan 1083 1081 HV Amsterdam The Netherlands
Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS) Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
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Affiliation as printed
Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS) Amsterdam Center for Multiscale Modeling (ACMM) Vrije Universiteit Amsterdam De Boelelaan 1083 1081 HV Amsterdam The Netherlands
Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS) Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
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Gábor Paragi corresponding
Hungarian Research Network · University of Pecs · Vrije Universiteit Amsterdam
Affiliation as printed
Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS) Amsterdam Center for Multiscale Modeling (ACMM) Vrije Universiteit Amsterdam De Boelelaan 1083 1081 HV Amsterdam The Netherlands
Institute of Physics University of Pécs Ifjúság útja 6 7624 Pécs Hungary
MTA-SZTE Biomimetic Systems Research Group Eötvös Loránd Research Network (ELKH) Dóm tér 8 6720 Szeged Hungary
Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS) Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
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Célia Fonseca Guerra corresponding Aachen Leiden Institute of Chemistry Leiden Institute of Chemistry, Gorlaeus Laboratories
Leiden University · Vrije Universiteit Amsterdam
Affiliation as printed
Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS) Amsterdam Center for Multiscale Modeling (ACMM) Vrije Universiteit Amsterdam De Boelelaan 1083 1081 HV Amsterdam The Netherlands
Leiden Institute of Chemistry, Gorlaeus Laboratories Leiden University Einsteinweg 55 2333 CC Leiden The Netherlands
Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS) Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, Einsteinweg 55, 2333 CC Leiden, The Netherlands
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