Infrared photodissociation spectroscopy of ion-radical networks in cationic dimethylamine complexes

Literature Information

Publication Date 2018-10-23
DOI 10.1039/C8CP05597A
Impact Factor 3.676
Authors

Xiangtao Kong, Zhi Zhao, Dongxu Dai, Xueming Yang, Ling Jiang


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Abstract

Infrared photodissociation spectroscopy was employed to establish the general trends in the stepwise growth motif of cationic dimethylamine (DMA)n+ (n = 4–13) complexes. Electronic structure calculations were performed to identify the structure of the low-lying isomers and to assign the observed spectral features. The results showed the preference of the formation of the proton-transferred (CH3)2NH2+ ion core. The (CH3)2NH2+–[(CH3)2N] ion-radical pair contact and the ion-radical separated pair could coexist at n = 4. The [(CH3)2N] radical is separated from the (CH3)2NH2+ ion core by one DMA molecule at n = 4–6 and by two or more DMA molecules in the larger clusters. This suggests that the (CH3)2NH2+–[(CH3)2N] ion-radical contact pair is not stable in the subsequent radiation-induced processes of DMA, and the [(CH3)2N] radical is released from the charged site in the cationic DMA networks.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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