Ion-Solvent Molecule Interactions Studied in the Gas Phase. Heats and Entropies of Individual Steps. NH4+·(n -- 1)NH3+ NH3= NH4+·nNH3

1966 ◽  
Vol 88 (1) ◽  
pp. 28-31 ◽  
Author(s):  
A. M. Hogg ◽  
R. M. Haynes ◽  
P. Kebarle
Keyword(s):  
Gas Phase ◽  
Solvent Molecule ◽  
Molecule Interactions

Ion-solvent molecule interactions in the gas phase. The potassium ion and benzene

1981 ◽  
Vol 85 (13) ◽  
pp. 1814-1820 ◽  
Author(s):  
Jan Sunner ◽  
Kazushige Nishizawa ◽  
Paul Kebarle
Keyword(s):  
Gas Phase ◽  
Solvent Molecule ◽  
Potassium Ion ◽  
Molecule Interactions

Gas-Phase Clustering of NO+ with H2S and H2O

2007 ◽  
Vol 72 (8) ◽  
pp. 1122-1138 ◽  
Author(s):  
Milan Uhlár ◽  
Ivan Černušák
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Gas Phase ◽  
Saddle Points ◽  
Solvent Molecule ◽  
Local Minima ◽  
Additional Water ◽  
Three Body ◽  
Rain Formation ◽  
Stable Structures

The complex NO+·H2S, which is assumed to be an intermediate in acid rain formation, exhibits thermodynamic stability of ∆Hº300 = -76 kJ mol-1, or ∆Gº300 = -47 kJ mol-1. Its further transformation via H-transfer is associated with rather high barriers. One of the conceivable routes to lower the energy of the transition state is the action of additional solvent molecule(s) that can mediate proton transfer. We have studied several NO+·H2S structures with one or two additional water molecule(s) and have found stable structures (local minima), intermediates and saddle points for the three-body NO+·H2S·H2O and four-body NO+·H2S·(H2O)2 clusters. The hydrogen bonds network in the four-body cluster plays a crucial role in its conversion to thionitrous acid.

Theoretical study of the triangular bonding complex formed by carbon tetrabromide, a halide, and a solvent molecule in the gas phase

2012 ◽  
Vol 19 (1) ◽  
pp. 299-304 ◽  
Author(s):  
Xiao Ran Zhao ◽  
Yu Jie Wu ◽  
Juan Han ◽  
Qian Jin Shen ◽  
Wei Jun Jin
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Solvent Molecule ◽  
Carbon Tetrabromide

Solvent–Molecule Interactions Govern Crystal-Habit Selection in Naphthalene Tetracarboxylic Diimides

2019 ◽  
Vol 31 (23) ◽  
pp. 9691-9698 ◽  
Author(s):  
Geoffrey E. Purdum ◽  
Xiangyu Chen ◽  
Nicholas Telesz ◽  
Sean M. Ryno ◽  
Nikita Sengar ◽  
...  
Keyword(s):  
Solvent Molecule ◽  
Crystal Habit ◽  
Molecule Interactions

scholarly journals Electron-Induced Chemistry in the Condensed Phase

Atoms ◽  
2019 ◽  
Vol 7 (1) ◽  
pp. 33
Author(s):  
Jan Hendrik Bredehöft
Keyword(s):  
Gas Phase ◽  
Cross Sections ◽  
Condensed Phase ◽  
Theoretical Understanding ◽  
The Past ◽  
Long Time ◽  
The Difference ◽  
Molecule Interactions ◽  
Multi Body ◽  
Molecule Interaction

Electron–molecule interactions have been studied for a long time. Most of these studies have in the past been limited to the gas phase. In the condensed-phase processes that have recently attracted attention from academia as well as industry, a theoretical understanding is mostly based on electron–molecule interaction data from these gas phase experiments. When transferring this knowledge to condensed-phase problems, where number densities are much higher and multi-body interactions are common, care must be taken to critically interpret data, in the light of this chemical environment. The paper presented here highlights three typical challenges, namely the shift of ionization energies, the difference in absolute cross-sections and branching ratios, and the occurrence of multi-body processes that can stabilize otherwise unstable intermediates. Examples from recent research in astrochemistry, where radiation driven chemistry is imminently important are used to illustrate these challenges.

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