Intermediates of N‐Heterocyclic Carbene (NHC) Dimerization Probed in the Gas Phase by Ion Mobility Mass Spectrometry: C−H⋅⋅⋅:C Hydrogen Bonding Versus Covalent Dimer Formation

Autor:	Mathias Paul, Mathias Schäfer, Helmut Schwarz, Albrecht Berkessel, Maria Schlangen, Martin Breugst, Eric Detmar, Jörg-Martin Neudörfl
Rok vydání:	2019
Předmět:	chemistry.chemical_classification 010405 organic chemistry Chemistry Ion-mobility spectrometry Hydrogen bond Dimer Organic Chemistry Salt (chemistry) General Chemistry 010402 general chemistry Mass spectrometry 01 natural sciences Catalysis 0104 chemical sciences chemistry.chemical_compound Crystallography Covalent bond Intramolecular force Carbene
Zdroj:	Chemistry – A European Journal. 25:2511-2518
ISSN:	1521-3765 0947-6539
DOI:	10.1002/chem.201803641
Popis:	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.
Databáze:	OpenAIRE
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