Hydration processes of barium chloride: Size-selected anion photoelectron spectroscopy and theoretical calculations of BaCl2-water clusters

2020 ◽  
Vol 153 (13) ◽  
pp. 134301
Author(s):  
Zhi-You Wei ◽  
Li-Jiang Yang ◽  
Hong-Guang Xu ◽  
Umar Farooq ◽  
Xi-Ling Xu ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Water Clusters ◽  
Theoretical Calculations ◽  
Barium Chloride ◽  
Anion Photoelectron Spectroscopy

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.

Structural and bonding properties of BS−/0 and BS3−/0

2018 ◽  
Vol 42 (19) ◽  
pp. 16021-16026 ◽  
Author(s):  
Li-Juan Zhao ◽  
Xi-Ling Xu ◽  
Hong-Guang Xu ◽  
Gang Feng ◽  
Wei-Jun Zheng
Keyword(s):  
Photoelectron Spectroscopy ◽  
Theoretical Calculations ◽  
Bonding Properties ◽  
Anion Photoelectron Spectroscopy

The structures of BS− and BS3− were determined by the combination of size-selected anion photoelectron spectroscopy and theoretical calculations.

Dynamical fluxionality, multiplicity of structural forms, and electronic properties of the B3Si11 cluster: anion photoelectron spectroscopy and theoretical calculations

2019 ◽  
Vol 21 (23) ◽  
pp. 12241-12249 ◽  
Author(s):  
Sheng-Jie Lu ◽  
Li-Shun Wu ◽  
Bao-Hua Yin ◽  
Feng Lin ◽  
Ming-Yong Chao
Keyword(s):  
Electronic Properties ◽  
Photoelectron Spectroscopy ◽  
Sandwich Structure ◽  
Theoretical Calculations ◽  
Cluster Anion ◽  
Membered Ring ◽  
Pentagonal Bipyramid ◽  
Anion Photoelectron Spectroscopy

B3Si11− is formed by the fusion of a B3Si7 bicapped tetragonal antiprism to a B3Si4 pentagonal bipyramid by sharing a B3 triangle, while neutral B3Si11 has a B3-endohedral sandwich structure composed of a Si5 five-membered ring and a Si6 six-membered ring.

Sign in / Sign up

Export Citation Format

Share Document