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Can I read Reactivity of Cobalt Clusters Co~ n ~^±/0^ with Dinitrogen: Superatom Co~6~^+^ and Superatomic Complex Co~5~N~6~^+^ on EtoBox?
Reactivity of Cobalt Clusters Co~ n ~^±/0^ with Dinitrogen: Superatom Co~6~^+^ and Superatomic Complex Co~5~N~6~^+^ by Lijun Geng; Chaonan Cui; Yuhan Jia; Baoqi Yin; Hanyu Zhang; Zhen-Dong Sun; Zhixun Luo is a Chemistry article available to read on EtoBox.
What is Reactivity of Cobalt Clusters Co~ n ~^±/0^ with Dinitrogen: Superatom Co~6~^+^ and Superatomic Complex Co~5~N~6~^+^ about?
We report a joint experimental and theoretical study on the reactions of cobalt clusters (Co n ±/0) with nitrogen using the customized reflection time-of-flight mass spectrometer combined with a 177.3 nm deepultraviolet laser. Comparing to the behaviors of neutral Co n (n = 2-30) and anionic Co n -clusters (n = 7-53) which are relatively inert in reacting with nitrogen in the fast-flow tube, Co n + clusters readily react with nitrogen resulting in adducts of one or multiple N 2 except Co 6 + which stands firm in the reaction with nitrogen. Detailed quantum chemistry calculations, including the energetics, electron occupancy, and orbital analysis, wellexplained the reasonable reactivity of Co n + clusters with nitrogen and unveiled the open-shell superatomic stability of Co 6 + within a highly symmetric (D 3d ) structure. The D 3d Co 6+ bears an electron configuration of a half-filled superatomic 1P orbital (i.e., 1S 2 1P 3 ||1D 0 ), a large α-highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap, symmetric multicenter bonds, and reasonable electron delocalization pertaining to metallic aromaticity. Topology analysis by atom-in-molecule illustrates
Who reads Reactivity of Cobalt Clusters Co~ n ~^±/0^ with Dinitrogen: Superatom Co~6~^+^ and Superatomic Complex Co~5~N~6~^+^?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Lijun Geng; Chaonan Cui; Yuhan Jia; Baoqi Yin; Hanyu Zhang; Zhen-Dong Sun; Zhixun Luo
- Publisher
- American Chemical Society (ACS)
- Published
- 2021
- Language
- EN
- Field
- Chemistry (Physical Sciences)