Experimental and Theoretical Evidence of Spin‐Orbit Heavy Atom on the Light Atom 1H NMR Chemical Shifts Induced through H⋅⋅⋅I− Hydrogen Bond. Issue 40 (12th June 2020)

• Record Type: Journal Article
• Authors: Vícha, Jan; Švec, Petr; Růžičková, Zdeňka; Samsonov, Maksim A.; Bártová, Kateřina; Růžička, Aleš; Straka, Michal; Dračínský, Martin
• Is Part Of: Chemistry. Volume 26:Issue 40(2020)
• Page Start: 8669
• Page End: 8669
• Publication Date: 2020-06-12
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.202002353
• Languages: English
• ISSNs: 0947-6539

Abstract

Abstract: Invited for the cover of this issue is the group of Michal Straka and Martin Dračínský (IOCB Prague, Czech Academy of Sciences). The image depicts a neutron star, which is used to represent the relativistic effects between a heavy element and a hydrogen atom reported in this work. Read the full text of the article at 10.1002/chem.202001532 . Abstract : " We show that the inclusion of relativistic SO‐HALA contribution in the calculations of chemical shift of the hydrogen atom included in H⋅⋅⋅I − hydrogen bond is necessary to obtain good agreement with experiment ." Read more about the story behind the cover in the Cover Profile and about the research itself on page 8698 ff. (DOI: 10.1002/chem.202001532 ).