Electron induced processes in CH: an R-matrix study of electronic excitation, dissociation and dissociative attachment

2020 ◽  
Vol 29 (9) ◽  
pp. 095016
Author(s):  
R Ghosh ◽  
K Chakrabarti ◽  
B S Choudhury
2017 ◽  
Vol 50 (17) ◽  
pp. 175201 ◽  
Author(s):  
Daniel Darby-Lewis ◽  
Zdeněk Mašín ◽  
Jonathan Tennyson

Author(s):  
Tian Lu ◽  
Qinxue Chen ◽  
Zeyu Liu

Although cyclo[18]carbon has been theoretically and experimentally investigated since long time ago, only very recently it was prepared and directly observed by means of STM/AFM in condensed phase (Kaiser et al., <i>Science</i>, <b>365</b>, 1299 (2019)). The unique ring structure and dual 18-center π delocalization feature bring a variety of unusual characteristics and properties to the cyclo[18]carbon, which are quite worth to be explored. In this work, we present an extremely comprehensive and detailed investigation on almost all aspects of the cyclo[18]carbon, including (1) Geometric characteristics (2) Bonding nature (3) Electron delocalization and aromaticity (4) Intermolecular interaction (5) Reactivity (6) Electronic excitation and UV/Vis spectrum (7) Molecular vibration and IR/Raman spectrum (8) Molecular dynamics (9) Response to external field (10) Electron ionization, affinity and accompanied process (11) Various molecular properties. We believe that our full characterization of the cyclo[18]carbon will greatly deepen researchers' understanding of this system, and thereby help them to utilize it in practice and design its various valuable derivatives.


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