How Anion Chaotrope Changes the Local Structure of Water: Insights from Photoelectron Spectroscopy and Theoretical Modeling of SCN– Water Clusters

2015 ◽  
Vol 120 (8) ◽  
pp. 1518-1525 ◽  
Author(s):  
Marat Valiev ◽  
Shihu H. M. Deng ◽  
Xue-Bin Wang
Keyword(s):  
Photoelectron Spectroscopy ◽  
Local Structure ◽  
Water Clusters ◽  
Theoretical Modeling ◽  
Structure Of 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.

Effect of the Mobility of Ligands in Polyrotaxanes on Order Structure of Water Clusters

Langmuir ◽  
2004 ◽  
Vol 20 (7) ◽  
pp. 2852-2854 ◽  
Author(s):  
Hiroaki Hirose ◽  
Haruyuki Sano ◽  
Goro Mizutani ◽  
Masaru Eguchi ◽  
Tooru Ooya ◽  
...  
Keyword(s):  
Water Clusters ◽  
Order Structure ◽  
Structure Of Water
Sign in / Sign up

Export Citation Format

Share Document