Single-Molecule Catalysis Revealed: Elucidating the Mechanistic Framework for the Formation and Growth of Atmospheric Iodine Oxide Aerosols in Gas-Phase and Aqueous Surface Environments

2018 ◽  
Vol 140 (44) ◽  
pp. 14704-14716 ◽  
Author(s):  
Manoj Kumar ◽  
Alfonso Saiz-Lopez ◽  
Joseph S. Francisco
Keyword(s):  
Gas Phase ◽  
Single Molecule ◽  
Aqueous Surface

Gas-phase and Aqueous-surface Reaction Mechanism of Criegee Radicals with Serine and Nucleation of Products: a Theoretical Study

Chemosphere ◽  
2021 ◽  
pp. 130709
Author(s):  
Lei Li ◽  
Ruiying Zhang ◽  
Xiaohui Ma ◽  
Yuanyuan Wei ◽  
Xianwei Zhao ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Gas Phase ◽  
Surface Reaction ◽  
Theoretical Study ◽  
Aqueous Surface ◽  
Surface Reaction Mechanism

Theoretical Investigation of the Gas-Phase Decomposition of Ga(N3)2Et as a Model for a Single-Molecule GaN Precursor.

ChemInform ◽  
2003 ◽  
Vol 34 (52) ◽  
Author(s):  
Birgit Wolbank ◽  
Rochus Schmid
Keyword(s):  
Gas Phase ◽  
Theoretical Investigation ◽  
Single Molecule ◽  
Phase Decomposition

scholarly journals Inter- and Intramolecular Aryl-Aryl-Interactions in Partially Fluorinated Ethylenedioxy-Bridged Bisarenes

2020 ◽  
Author(s):  
Jan-Henrik Weddeling ◽  
Yury Vishnevskiy ◽  
Beate Neumann ◽  
Hans-Georg Stammler ◽  
Norbert W. Mitzel
Keyword(s):  
Solid State ◽  
Electron Diffraction ◽  
Dft Calculations ◽  
Gas Phase ◽  
Single Molecule ◽  
Structure Refinement ◽  
Intramolecular Interactions ◽  
Gas Electron Diffraction ◽  
Dispersion Energy ◽  
Solid State Structures

Several ethylenedioxy-bridged bisarenes with a variety of type and number of aryl groups were synthesized to study non-covalent dispersion-driven inter- and intramolecular aryl-aryl-interactions in the solid state and gas phase. Intramolecular interactions are preferably found in the gas phase. DFT calculations of dispersion-corrected energy scans for rotations around the ethylenedioxy-bridge and optimized structures show larger interacting aromatic groups to increase the dispersion energy. Single molecule structures generally adopt folded conformations with short intramolecular aryl-aryl-contacts. Gas electron diffraction experiments were performed exemplarily for 1-(pentafluorophenoxy)-2-(phenoxy)ethane. A new procedure for structure refinement was developed to deal with the conformational complexity of such molecules. The results are an experimental confirmation of the existence of folded conformations of this molecule with short -intramolecular aryl-aryl distances in the gas phase. Solid-state structures are dominated by stretched structures without intramolecular aryl-aryl-interactions but interactions with neighboring molecules<br>

scholarly journals Electron-induced damage of biotin studied in the gas phase and in the condensed phase at a single-molecule level

2013 ◽  
Vol 15 (8) ◽  
pp. 083045 ◽  
Author(s):  
Adrian Keller ◽  
Janina Kopyra ◽  
Kurt V Gothelf ◽  
Ilko Bald
Keyword(s):  
Gas Phase ◽  
Single Molecule ◽  
Condensed Phase ◽  
Single Molecule Level

scholarly journals Inter- and Intramolecular Aryl-Aryl-Interactions in Partially Fluorinated Ethylenedioxy-Bridged Bisarenes

2020 ◽  
Author(s):  
Jan-Henrik Weddeling ◽  
Yury Vishnevskiy ◽  
Beate Neumann ◽  
Hans-Georg Stammler ◽  
Norbert W. Mitzel
Keyword(s):  
Solid State ◽  
Electron Diffraction ◽  
Dft Calculations ◽  
Gas Phase ◽  
Single Molecule ◽  
Structure Refinement ◽  
Intramolecular Interactions ◽  
Gas Electron Diffraction ◽  
Dispersion Energy ◽  
Solid State Structures

Several ethylenedioxy-bridged bisarenes with a variety of type and number of aryl groups were synthesized to study non-covalent dispersion-driven inter- and intramolecular aryl-aryl-interactions in the solid state and gas phase. Intramolecular interactions are preferably found in the gas phase. DFT calculations of dispersion-corrected energy scans for rotations around the ethylenedioxy-bridge and optimized structures show larger interacting aromatic groups to increase the dispersion energy. Single molecule structures generally adopt folded conformations with short intramolecular aryl-aryl-contacts. Gas electron diffraction experiments were performed exemplarily for 1-(pentafluorophenoxy)-2-(phenoxy)ethane. A new procedure for structure refinement was developed to deal with the conformational complexity of such molecules. The results are an experimental confirmation of the existence of folded conformations of this molecule with short -intramolecular aryl-aryl distances in the gas phase. Solid-state structures are dominated by stretched structures without intramolecular aryl-aryl-interactions but interactions with neighboring molecules<br>

scholarly journals Bimolecular production of proton bound dimers in the gas phase. A low pressure ion cyclotron resonance technique for examination of solvent exchange equilibria and determination of single molecule solvation energetics

1982 ◽  
Vol 60 (4) ◽  
pp. 542-544 ◽  
Author(s):  
J. W. Larson ◽  
R. L. Clair ◽  
T. B. McMahon
Keyword(s):  
Gas Phase ◽  
Single Molecule ◽  
Cyclotron Resonance ◽  
Ion Cyclotron Resonance ◽  
Solvent Exchange ◽  
Ion Molecule Reactions ◽  
Ion Cyclotron ◽  
Gas Phase Ion ◽  
Low Pressures

A scheme is presented whereby sequences of fast bimolecular gas phase ion molecule reactions in mixtures containing (CHF2)2O may be used to generate proton bound dimer species at low pressures in an ion cyclotron resonance spectrometer. Using competitive solvent switching reactions it is demonstrated that solvent exchange equilibria may be readily established and from the thermochemical data derived from such equilibria accurate relative single molecule solvation energetics obtained.

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