Hydration Process of Na2-in Small Water Clusters:  Photoelectron Spectroscopy and Theoretical Study of Na2-(H2O)n†

2007 ◽  
Vol 111 (31) ◽  
pp. 7364-7373 ◽  
Author(s):  
Akimasa Fujihara ◽  
Chiyoko Miyata ◽  
Ayako Maekawa ◽  
Kiyokazu Fuke ◽  
Kota Daigoku ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Theoretical Study ◽  
Water Clusters ◽  
Hydration Process ◽  
Small Water

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...

Molecular Dynamics Study of the Collision-Induced Reaction of H with CO on Small Water Clusters

2017 ◽  
Vol 121 (49) ◽  
pp. 9485-9494 ◽  
Author(s):  
Kseniia A. Korchagina ◽  
Fernand Spiegelman ◽  
Jérôme Cuny
Keyword(s):  
Molecular Dynamics ◽  
Water Clusters ◽  
Small Water ◽  
Induced Reaction

Theoretical study of the protolytic dissociation of HCl in water clusters

2001 ◽  
Vol 115 (1) ◽  
pp. 349-356 ◽  
Author(s):  
Anne Milet ◽  
Cezary Struniewicz ◽  
Robert Moszynski ◽  
Paul E. S. Wormer
Keyword(s):  
Theoretical Study ◽  
Water Clusters
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