35865-24-8Relevant academic research and scientific papers
Experimental and Transition-State Theory Studies of the Gas-Phase Reactions of AlCl with N2O, CO2, and SO2
Futerko, Peter M.,Fontijn, Arthur
, p. 7222 - 7227 (2007/10/02)
The high-temperature fast-flow reactor technique has been used to make kinetic measurements.A weighted fit to the AlCl + N2O data gives k(700-990 K) = 5.6 x 10-11 exp(-7380 K/T) cm3 molecule-1 s-1.A weighted fit to the AlCl + CO2 measurements leads to the expression k(900-1790 K) = 4.4 x 10-23 (T/K) -14 K/T) cm3 molecule-1 s-1. 2? accuracy limits are about +/- 25percent.An upper limit k(800-1100 K) -14 cm3 molecule-1 s-1 has been determined for the AlCl + SO2 reaction.An alternate form of classical transition-state theory is developed to allow predictions on the preexponential part of rate coefficient expressions for metallic species.This model-based transition-state-theory (MTSZ) method used a valence-force molecular model to estimate rotational constants and vibrational frequencies of the transition state and is applicable to reactions with early barriers, typical of many exothermic charge-transfer reactions.The geometrical parameters and force constants that describe the molecular model are derived from properties of the reactants.For the N2O reaction good agreement between MTST and experiment is obtained, based on the assumption of an O atom abstraction reaction leading to OAlCl.No such agreement is found for the CO2 reaction, which indicates adduct formation as the main AlCl consumption channel.For the previously measured AlCl + O2 reaction MTST calculations suggest that abstraction can be some significance above 1500 K; however, adduct formation appears to dominate over most of the 490-1750 K range.
Reactions of Pulsed-Laser Evaporated Aluminium Atoms with Oxygen. Infrared Spectra of the Reaction Products in Solid Argon
Andrews, Lester,Burkholder, Thomas R.,Yustein, Jason T.
, p. 10182 - 10189 (2007/10/02)
Reactions of pulsed-laser evaporated Al atoms with O2 in a condensing argon stream gave cyclic-AlO2 at 496.3 cm-1 as the major product.In addition sharp new absorptions at 1211.2, 1176.3, and 1129.5 cm-1 are identified on the basis of isotopic shifts and multiplets as linear OAlOAlO, AlOAlO, and OAlO, respectively.The identification of linear OAlOAlO and AlOAlO was confirmed by MP2 calculations of isotopic frequencies.The 1129.5 cm-1 band exhibited a sharp mixed oxygen isotopic triplet and isotopic ratio 1.0261 in agreement with that expected for a linear molecule.A sharp 1092.5 cm-1 absorption is identified as OAlOO on the basis of a mixed oxygen isotopic quartet with 16O2/16O18O/18O2 and 16O2/18O2 reagent mixtures.The only AlO2 isomers observed were the cyclic and linear forms found by theory to be potential minima.The observation of isotopic shifts and mixed isotopic multiplets is absolutely essential for the identification of new transient species.
