Anion photoelectron spectroscopy and chemical bonding of ThO2− and ThO3−

2018 ◽  
Vol 148 (24) ◽  
pp. 244304 ◽  
Author(s):  
Yanli Li ◽  
Jinghan Zou ◽  
Xiao-Gen Xiong ◽  
Hua Xie ◽  
Zichao Tang ◽  
...  
Keyword(s):  
Chemical Bonding ◽  
Photoelectron Spectroscopy ◽  
Anion Photoelectron Spectroscopy

Structures and electronic properties of B2Si6−/0/+: anion photoelectron spectroscopy and theoretical calculations

RSC Advances ◽  
2016 ◽  
Vol 6 (67) ◽  
pp. 62165-62171 ◽  
Author(s):  
Guo-Jin Cao ◽  
Sheng-Jie Lu ◽  
Hong-Guang Xu ◽  
Xi-Ling Xu ◽  
Wei-Jun Zheng
Keyword(s):  
Electronic Properties ◽  
Silicon Atom ◽  
Chemical Bonding ◽  
Photoelectron Spectroscopy ◽  
Theoretical Calculations ◽  
Anion Photoelectron Spectroscopy

The lowest-energy structures of B2Si6q(q= −1, 0, +1) clusters are a peculiar structure with a silicon atom hanging over a distorted bowl-like B2Si5framework. It is characterized with σ or π delocalization in chemical bonding.

Interaction of Gold Atom with Clusters of Water: Few Computational Mise-En-Scènes with Hydrogen Bonding Motif

2008 ◽  
Vol 73 (11) ◽  
pp. 1457-1474 ◽  
Author(s):  
Eugene S. Kryachko
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Computational Model ◽  
Photoelectron Spectroscopy ◽  
Water Clusters ◽  
Gold Atom ◽  
Proton Acceptor ◽  
Anion Photoelectron Spectroscopy ◽  
Relationship Of ◽  
First Time

The present work outlines the fair relationship of the computational model with the experiments on anion photoelectron spectroscopy for the gold-water complexes [Au(H2O)1≤n≤2]- that is established between the auride anion Au- and water monomer and dimer thanks to the nonconventional hydrogen bond where Au- casts as the nonconventional proton acceptor. This work also extends the computational model to the larger complexes [Au(H2O)3≤n≤5]- where gold considerably thwarts the shape of water clusters and even particularly breaks their conventional hydrogen bonding patterns. The fascinating phenomenon of the lavish proton acceptor character of Au- to form at least six hydrogen bonds with molecules of water is computationally unveiled in the present work for the first time.

Photoelectron Spectroscopy and Theoretical Study of AlnC5-/0 (n = 1-5) clusters: Structural Evolution, Relative Stability of Star-Like Cluster, and Planar Tetracoordinate Carbon Structure

2021 ◽  
Author(s):  
Chao-Jiang Zhang ◽  
Peng Wang ◽  
Xi-Ling Xu ◽  
Hong-Guang Xu ◽  
Weijun Zheng
Keyword(s):  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Relative Stability ◽  
Theoretical Study ◽  
Structural Evolution ◽  
Carbon Structure ◽  
Anion Photoelectron Spectroscopy

The AlnC5- (n = 1-5) clusters were detected in the gas-phase and were investigated by mass-selected anion photoelectron spectroscopy. The structures of AlnC5-/0 (n = 1-5) were explored by theoretical...

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