Explicitly Unraveling the Roles of Counterions, Solvent Molecules, and Electron Correlation in Solution Phase Reaction Pathways

2016 ◽  
Vol 120 (41) ◽  
pp. 10797-10807 ◽  
Author(s):  
Mitchell C. Groenenboom ◽  
John A. Keith
Keyword(s):  
Electron Correlation ◽  
Solution Phase ◽  
Reaction Pathways ◽  
Phase Reaction ◽  
Solvent Molecules

Gas-Phase Reaction Pathways from SiH4to Si2H6, Si2H4and Si2H2:  A Theoretical Study

2003 ◽  
Vol 107 (16) ◽  
pp. 2954-2963 ◽  
Author(s):  
Shao-Wen Hu ◽  
Yi Wang ◽  
Xiang-Yun Wang ◽  
Ti-Wei Chu ◽  
Xin-Qi Liu
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Reaction Pathways ◽  
Phase Reaction ◽  
Gas Phase Reaction

Synthesis of titanium boride (TiB)2 nanocrystallites by solution-phase processing

1995 ◽  
Vol 10 (10) ◽  
pp. 2599-2612 ◽  
Author(s):  
Susan E. Bates ◽  
William E. Buhro ◽  
Claire A. Frey ◽  
Shankar M.L. Sastry ◽  
K.F. Kelton
Keyword(s):  
Annealing Temperature ◽  
Titanium Boride ◽  
Processing Parameters ◽  
Precursor Powder ◽  
Initial Solution ◽  
Solution Phase ◽  
Phase Reaction ◽  
Amorphous Precursor ◽  
Size Dependent ◽  
Crystallite Sizes

Nanocrystalline TiB2 is prepared by reaction of NaBH4 and TiCl4. The initial solution-phase reaction affords an amorphous precursor powder from which 5-100 nm TiB2 crystallites are obtained upon annealing at 900-1100 °C. Crystallite sizes depend on the annealing temperature and other processing parameters. Crystallite morphology is size dependent; crystallites smaller than 12-15 nm are cuboidal, whereas crystallites larger than 12-15 nm are hexagonal platelets. The procedure affords gram quantities of the smallest available TiB2 nanocrystallites.

scholarly journals Structural Dynamics of C2F4I2 in Cyclohexane Studied via Time-Resolved X-ray Liquidography

2021 ◽  
Vol 22 (18) ◽  
pp. 9793
Author(s):  
Jain Gu ◽  
Seonggon Lee ◽  
Seunghwan Eom ◽  
Hosung Ki ◽  
Eun Hyuk Choi ◽  
...  
Keyword(s):  
Reaction Dynamics ◽  
Molecular Structures ◽  
Solution Phase ◽  
Reaction Pathways ◽  
Time Resolved ◽  
Solvent Interactions ◽  
X Ray ◽  
Exchange Correlation ◽  
Solvent Dependence ◽  
Halogen Elimination

The halogen elimination of 1,2-diiodoethane (C2H4I2) and 1,2-diiodotetrafluoroethane (C2F4I2) serves as a model reaction for investigating the influence of fluorination on reaction dynamics and solute–solvent interactions in solution-phase reactions. While the kinetics and reaction pathways of the halogen elimination reaction of C2H4I2 were reported to vary substantially depending on the solvent, the solvent effects on the photodissociation of C2F4I2 remain to be explored, as its reaction dynamics have only been studied in methanol. Here, to investigate the solvent dependence, we conducted a time-resolved X-ray liquidography (TRXL) experiment on C2F4I2 in cyclohexane. The data revealed that (ⅰ) the solvent dependence of the photoreaction of C2F4I2 is not as strong as that observed for C2H4I2, and (ⅱ) the nongeminate recombination leading to the formation of I2 is slower in cyclohexane than in methanol. We also show that the molecular structures of the relevant species determined from the structural analysis of TRXL data provide an excellent benchmark for DFT calculations, especially for investigating the relevance of exchange-correlation functionals used for the structural optimization of haloalkanes. This study demonstrates that TRXL is a powerful technique to study solvent dependence in the solution phase.

scholarly journals Photodegradation of Riboflavin under Alkaline Conditions: What can Gas-Phase Photolysis Tell Us About What Happens in Solution?

2021 ◽  
Author(s):  
Natalie G.K. Wong ◽  
Chris Rhodes ◽  
Caroline E.H. Dessent
Keyword(s):  
Mass Spectrometry ◽  
Gas Phase ◽  
Direct Method ◽  
Photochemical Reactions ◽  
Solution Phase ◽  
Ionization Mass ◽  
Phase Reaction ◽  
Esi Ms ◽  
Alkaline Conditions ◽  
On Line

The application of electrospray ionization mass spectrometry (ESI-MS) as a direct method for detecting reactive intermediates is a technique of developing importance in the routine monitoring of solution-phase reaction pathways. Here, we utilize a novel on-line photolysis ESI-MS approach to detect the photoproducts of riboflavin in aqueous solution under mildly alkaline conditions. Riboflavin is a constituent of many food products, so its breakdown processes are of wide interest. Our on-line photolysis setup allows for solution-phase photolysis to occur within a syringe using UVA LEDs, immediately prior to being introduced into the mass spectrometer via ESI. Gas-phase photofragmentation studies via laser-interfaced mass spectrometry of deprotonated riboflavin, [RFH], the dominant solution-phase species under the conditions of our study, are presented alongside the solution-phase photolysis. The results obtained illustrate the extent to which gas-phase photolysis methods can inform our understanding of the corresponding solution-phase photochemistry. We determine that the solution-phase photofragmentation observed for [RFH] closely mirrors the gas-phase photochemistry, with the m/z 241 ion being the only major condensed-phase photoproduct. Further gas-phase photoproducts are observed at m/z 255, 212, and 145. The value of exploring both the gas- and solution-phase photochemistry to characterize photochemical reactions is discussed.

Analysis of Gas Phase Reaction Pathways for InN Metal Organic Vapor Phase Epitaxy

2018 ◽  
Vol 51 (7) ◽  
pp. 605-608
Author(s):  
Junji Sone ◽  
Kouta Uematsu ◽  
Yuuki Matsufuji ◽  
Masato Oshima ◽  
Katsumi Yamada ◽  
...  
Keyword(s):  
Gas Phase ◽  
Vapor Phase ◽  
Vapor Phase Epitaxy ◽  
Reaction Pathways ◽  
Phase Reaction ◽  
Gas Phase Reaction ◽  
Organic Vapor ◽  
Metal Organic

On-line chiral analysis using the kinetic method

The Analyst ◽  
2016 ◽  
Vol 141 (8) ◽  
pp. 2441-2446 ◽  
Author(s):  
Ryan M. Bain ◽  
Xin Yan ◽  
Shannon A. Raab ◽  
Stephen T. Ayrton ◽  
Tawnya G. Flick ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Kinetic Method ◽  
Enantiomeric Excess ◽  
Solution Phase ◽  
Chiral Analysis ◽  
Tandem Mass ◽  
Phase Reaction ◽  
On Line

Chiral analysis of constituents in solution-phase reaction mixtures can be performed by tandem mass spectrometry using the kinetic method to determine the enantiomeric excess (ee).

ChemInform Abstract: Chemical Aspects of Solution Phase Reaction Dynamics

ChemInform ◽  
2010 ◽  
Vol 26 (52) ◽  
pp. no-no
Author(s):  
D. RAFTERY ◽  
R. J. SENSION ◽  
R. M. HOCHSTRASSER
Keyword(s):  
Reaction Dynamics ◽  
Solution Phase ◽  
Phase Reaction
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