Theoretical investigation on the nature of substituted benzene···AuX interactions: covalent or noncovalent?

2022 ◽  
Author(s):  
Aiting Shan ◽  
Xiaoyan Li ◽  
Yanli Zeng ◽  
Lingpeng Meng ◽  
Xueying Zhang
Keyword(s):  
Electronic Properties ◽  
Theoretical Investigation ◽  
Coinage Metal ◽  
Metal Bonds

The nature of coinage-metal bonds between AuX (X = F, Cl, Br, CN, NO2, CH3) and aromatic moieties with different electronic properties (benzene, 1,3,5-trifluorobenzene and hexafluorobenzene) has been characterized within...

scholarly journals Systematic theoretical investigation of structure and electronic properties of pure copper and lithium doped copper clusters

2016 ◽  
Vol 114 (10) ◽  
pp. 1644-1656 ◽  
Author(s):  
Cheng-Gang Li ◽  
Hai-Jie Sun ◽  
Bao-Zeng Ren ◽  
Ya-Nan Tang ◽  
Meng Ju
Keyword(s):  
Electronic Properties ◽  
Theoretical Investigation ◽  
Pure Copper ◽  
Copper Clusters

scholarly journals Photosensitive Schottky barrier diode behavior of a semiconducting Co(iii)–Na complex with a compartmental Schiff base ligand

RSC Advances ◽  
2019 ◽  
Vol 9 (60) ◽  
pp. 34710-34719 ◽  
Author(s):  
Kousik Ghosh ◽  
Sayantan Sil ◽  
Partha Pratim Ray ◽  
Joaquín Ortega-Castro ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Schiff Base ◽  
Electronic Properties ◽  
Schottky Barrier ◽  
Theoretical Investigation ◽  
Schiff Base Ligand ◽  
Schottky Barrier Diode ◽  
Sodium Complex ◽  
Diode Behavior ◽  
Schottky Device

The opto-electronic properties of a cobalt(iii)–sodium complex have been studied with the help of both experimental and theoretical investigation. The complex has also been used to fabricate an effective photosensitive Schottky device.

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