Universität zu Köln

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:	Creators Email ORCID ORCID Put Code Wang, Hongjuan UNSPECIFIED UNSPECIFIED UNSPECIFIED Cao, Xiaoyan UNSPECIFIED orcid.org/0000-0002-3438-575X UNSPECIFIED Chen, Xuebo UNSPECIFIED UNSPECIFIED UNSPECIFIED Fang, Weihai UNSPECIFIED UNSPECIFIED UNSPECIFIED Dolg, Michael UNSPECIFIED orcid.org/0000-0002-0538-0837 UNSPECIFIED
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:	Keywords Language DIELS-ALDER REACTIONS; PHOTOCHEMICAL-REACTIONS; CYCLOBUTANE DERIVATIVES; SPIN-INVERSION; ORGANIC-SYNTHESIS; CYCLOADDITION; REARRANGEMENTS; COUMARINS; SYMMETRY; PHOTODIMERIZATION Multiple languages Chemistry, Multidisciplinary Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/38679