Universität zu Köln

Paul, Mathias ORCID: 0000-0003-4635-3605, Detmar, Eric, Schlangen, Maria ORCID: 0000-0002-8783-6788, Breugst, Martin ORCID: 0000-0003-0950-8858, Neudoerfl, Joerg-Martin, Schwarz, Helmut ORCID: 0000-0002-3369-7997, Berkessel, Albrecht ORCID: 0000-0003-0470-7428 and Schaefer, Mathias (2019). Intermediates of N-Heterocyclic Carbene (NHC) Dimerization Probed in the Gas Phase by Ion Mobility Mass Spectrometry: C-H center dot center dot center dot:C Hydrogen Bonding Versus Covalent Dimer Formation. Chem.-Eur. J., 25 (10). S. 2511 - 2519. WEINHEIM: WILEY-V C H VERLAG GMBH. ISSN 1521-3765

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Abstract

N-Heterocyclic carbenes (NHCs, :C) can interact with azolium salts (C-H+) by either forming a hydrogen-bonded aggregate (CHC+) or a covalent C-C bond (CCH+). In this study, the intramolecular NHC-azolium salt interactions of aromatic imidazolin-2-ylidenes and saturated imidazolidin-2-ylidenes have been investigated in the gas phase by traveling wave ion mobility mass spectrometry (TW IMS) and DFT calculations. The TW IMS experiments provided evidence for the formation of these important intermediates in the gas phase, and they identified the predominant aggregation mode (hydrogen bond vs. covalent C-C) as a function of the nature of the interacting carbene-azolium pairs.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Paul, Mathias UNSPECIFIED orcid.org/0000-0003-4635-3605 UNSPECIFIED Detmar, Eric UNSPECIFIED UNSPECIFIED UNSPECIFIED Schlangen, Maria UNSPECIFIED orcid.org/0000-0002-8783-6788 UNSPECIFIED Breugst, Martin UNSPECIFIED orcid.org/0000-0003-0950-8858 UNSPECIFIED Neudoerfl, Joerg-Martin UNSPECIFIED UNSPECIFIED UNSPECIFIED Schwarz, Helmut UNSPECIFIED orcid.org/0000-0002-3369-7997 UNSPECIFIED Berkessel, Albrecht UNSPECIFIED orcid.org/0000-0003-0470-7428 UNSPECIFIED Schaefer, Mathias UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-156488
DOI:	10.1002/chem.201803641
Journal or Publication Title:	Chem.-Eur. J.
Volume:	25
Number:	10
Page Range:	S. 2511 - 2519
Date:	2019
Publisher:	WILEY-V C H VERLAG GMBH
Place of Publication:	WEINHEIM
ISSN:	1521-3765
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Chemistry > Institute of Organic Chemistry
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language COLLISION CROSS-SECTIONS; THIAMINE ACTION; BASIS-SETS; MECHANISM; REACTIVITY; COMPLEXES; THERMODYNAMICS; CATALYSIS; NITROGEN; PROGRAM Multiple languages Chemistry, Multidisciplinary Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/15648