Universität zu Köln

Schmid, P. C., Greenberg, J., Nguyen, T. L., Thorpe, J. H., Catani, K. J., Krohn, O. A., Miller, M., I, Stanton, J. F. and Lewandowski, H. J. (2020). Isomer-selected ion-molecule reactions of acetylene cations with propyne and allene. Phys. Chem. Chem. Phys., 22 (36). S. 20303 - 20311. CAMBRIDGE: ROYAL SOC CHEMISTRY. ISSN 1463-9084

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Abstract

One of the fundamental goals of chemistry is to determine how molecular structure influences interactions and leads to different reaction products. Studies of isomer-selected and resolved chemical reactions can shed light directly on how form leads to function. In the following, we present the results of gas-phase reactions between acetylene cations (C2D2+) with two different isomers of C3H4: propyne (DC3D3) and allene (H2C3H2). Our highly controlled, trapped-ion environment allows for precise determination of reaction products and kinetics. From these results, we can infer details of the underlying reaction dynamics of C2H2++ C3H4. Through the synergy of experimental results and high-level quantum chemical potential energy surface calculations, we are able to identify distinct reaction mechanisms for the two isomers. We find long-range charge exchange with no complex formation is favored for allene, whereas charge exchange leads to an intermediate reaction complex for propyne and thus, different products. Therefore, this reaction displays a pronounced isomer-selective bi-molecular reactive process.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Schmid, P. C. UNSPECIFIED UNSPECIFIED UNSPECIFIED Greenberg, J. UNSPECIFIED UNSPECIFIED UNSPECIFIED Nguyen, T. L. UNSPECIFIED UNSPECIFIED UNSPECIFIED Thorpe, J. H. UNSPECIFIED UNSPECIFIED UNSPECIFIED Catani, K. J. UNSPECIFIED UNSPECIFIED UNSPECIFIED Krohn, O. A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Miller, M., I UNSPECIFIED UNSPECIFIED UNSPECIFIED Stanton, J. F. UNSPECIFIED UNSPECIFIED UNSPECIFIED Lewandowski, H. J. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-318196
DOI:	10.1039/d0cp03953e
Journal or Publication Title:	Phys. Chem. Chem. Phys.
Volume:	22
Number:	36
Page Range:	S. 20303 - 20311
Date:	2020
Publisher:	ROYAL SOC CHEMISTRY
Place of Publication:	CAMBRIDGE
ISSN:	1463-9084
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language CHEMICAL-REACTIONS; COLD; IONIZATION; RESONANCE; CHEMISTRY; DYNAMICS; KINETICS Multiple languages Chemistry, Physical; Physics, Atomic, Molecular & Chemical Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/31819