Wang, Hongjuan, Cao, Xiaoyan ORCID: 0000-0002-3438-575X, Chen, Xuebo, Fang, Weihai and Dolg, Michael ORCID: 0000-0002-0538-0837 (2015). Regulatory Mechanism of the Enantioselective Intramolecular Enone [2+2] Photocycloaddition Reaction Mediated by a Chiral Lewis Acid Catalyst Containing Heavy Atoms. Angew. Chem.-Int. Edit., 54 (48). S. 14295 - 14299. WEINHEIM: WILEY-V C H VERLAG GMBH. ISSN 1521-3773

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Abstract

The asymmetric catalysis of the intramolecular enone [2+2] photocycloaddition has been subject of extensive experimental studies, however theoretical insight to its regulatory mechanism is still sparse. Accurate quantum chemical calculations at the CASPT2//CASSCF level of theory associated with energy-consistent relativistic pseudopotentials provide a basis for the first regulation theory that the enantioselective reaction is predominantly controlled by the presence of relativistic effects, that is, spin-orbit coupling resulting from heavy atoms in the chiral Lewis acid catalyst.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
Wang, HongjuanUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Cao, XiaoyanUNSPECIFIEDorcid.org/0000-0002-3438-575XUNSPECIFIED
Chen, XueboUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Fang, WeihaiUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Dolg, MichaelUNSPECIFIEDorcid.org/0000-0002-0538-0837UNSPECIFIED
URN: urn:nbn:de:hbz:38-386792
DOI: 10.1002/anie.201505931
Journal or Publication Title: Angew. Chem.-Int. Edit.
Volume: 54
Number: 48
Page Range: S. 14295 - 14299
Date: 2015
Publisher: WILEY-V C H VERLAG GMBH
Place of Publication: WEINHEIM
ISSN: 1521-3773
Language: English
Faculty: Faculty of Mathematics and Natural Sciences
Divisions: Faculty of Mathematics and Natural Sciences > Department of Chemistry > Institute of Theoretical Chemistry
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
DIELS-ALDER REACTIONS; PHOTOCHEMICAL-REACTIONS; CYCLOBUTANE DERIVATIVES; SPIN-INVERSION; ORGANIC-SYNTHESIS; CYCLOADDITION; REARRANGEMENTS; COUMARINS; SYMMETRY; PHOTODIMERIZATIONMultiple languages
Chemistry, MultidisciplinaryMultiple languages
Refereed: Yes
URI: http://kups.ub.uni-koeln.de/id/eprint/38679

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