The role of electric field, peripheral chains, and magnetic effects on significant 1H upfield shifts of the encapsulated molecules in chalcogen-bonded capsules

Author:

Tzeli Demeter12ORCID,Petsalakis Ioannis D.2,Theodorakopoulos Giannoula2,Rahman Faiz-Ur34ORCID,Yu Yang4ORCID,Rebek Julius45

Affiliation:

1. Laboratory of Physical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis Zografou, Athens 157 71, Greece

2. Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48 Vassileos Constantinou Ave., Athens 116 35, Greece

3. Inner Mongolia Mongolia University Research Center for Glycochemistry of Characteristic Medicinal Resources, Department of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot, China

4. Center for Supramolecular Chemistry and Catalysis and Department of Chemistry, Shanghai University, 99 Shang-Da Road, Shanghai 200444, P. R. China

5. Skaggs Institute for Chemical Biology and Department of Chemistry, The Scripps Research Institute, La Jolla, California 92037, USA

Abstract

Significant 1H upfield chemical shifts of the guests in the capsules are consequences of polarizability of chalcogens, electric field effects and peripheral chains. The effects of the electric field and of magnetic field are of equal importance.

Funder

Shanghai University

National and Kapodistrian University of Athens

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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