Schmauck, J. and Breugst, M. (2017). The potential of pnicogen bonding for catalysis - a computational study. Org. Biomol. Chem., 15 (38). S. 8037 - 8046. CAMBRIDGE: ROYAL SOC CHEMISTRY. ISSN 1477-0539

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Abstract

Pnicogen bonding is a noncovalent interaction between the electrophilic region of a phosphorus atom and a Lewis base. Although this interaction can be comparable in strength to other noncovalent interactions, no systematic application in organic synthesis or catalysis is known so far. To identify the potential of this interaction for organocatalysis, we have now analysed different pnicogen-bond donors as catalysts for the activation of three different model reactions employing density functional theory. Our calculations suggest rate accelerations of several orders of magnitude for all cases indicating that synthetic applications should be feasible. Furthermore, our results indicate that pnicogen-bond donors can be comparable to halogen-bond-based catalysts in these reactions.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
Schmauck, J.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Breugst, M.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-214279
DOI: 10.1039/c7ob01599b
Journal or Publication Title: Org. Biomol. Chem.
Volume: 15
Number: 38
Page Range: S. 8037 - 8046
Date: 2017
Publisher: ROYAL SOC CHEMISTRY
Place of Publication: CAMBRIDGE
ISSN: 1477-0539
Language: English
Faculty: Unspecified
Divisions: Unspecified
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
DIELS-ALDER REACTION; BONDED COMPLEXES; HALOGEN; HYDROGEN; CHALCOGEN; NITROGEN; PHOSPHORUS; ACTIVATION; DESIGN; DONORSMultiple languages
Chemistry, OrganicMultiple languages
Refereed: Yes
URI: http://kups.ub.uni-koeln.de/id/eprint/21427

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