the hydrogen abstraction reaction by oh radical from ch2brch2br (r1) and ch₃chbr2 (r2) is investigated theoretically by semi-classical transition state theory. the stationary points for both reactions are located by using ωb97x-d and kmlyp density functional methods along with cc-pvtz basis. single-point energy calculations are performed at the qcisd(t) and ccsd(t) levels of theory with differe...

In this study, a class of bis-1,2-(4-aryl-2-alkyl-1H- inden-1-yl) ethane was synthesized and characterized by spectroscopic methods such as 1HNMR, 13CNMR, melting point and FTIR. bis-1,2-(4-aryl-2-alkyl-1H- inden-1-yl) ethane was synthesized by the reaction of butyl­lithium, arylindenes and dibromoethane in a facile, one-pot strategy. It’s shown that these methods have a wide scope to afford li...

The hydrogen abstraction reaction by OH radical from CH2BrCH2Br (R1) and CH₃CHBr2 (R2) is investigated theoretically by semi-classical transition state theory. The stationary points for both reactions are located by using ωB97X-D and KMLYP density functional methods along with cc-pVTZ basis. Single-point energy calculations are performed at the QCISD(T) and CCSD(T) levels of theory with differe...

There has been considerable interest in the pro­ ducts of the reaction of 2 ,2 '-bipyridine with di­ bromoalkanes. The bridged diquaternary salt (1) from 2 ,2 '-bipyridine and 1 ,2 -dibromoethane is the well-known herbicide diquat dibromide [1]. Similar bridged salts are obtained with 1,3-dibromopropane and 1,4-dibromobutane [2] but reaction of 2,2'-bipyridine with 1,5-dibromopentane gives inst...

Quercetin rich compound and cardanol were extracted modified via the William ether synthesis using 1,2-dibromoethane in presence of a base catalyst. The FTIR spectral analysis product confirmed its chemical modification. MRCNSL was evaluated as emulsion breakers. Medium crude seawater, characterized with ASTM standards used producing laboratory-simulated oil emulsions at varying oil: water mixi...

Trihalomethanes, carbon tetrachloride, 1,1,1-trichloroethane, 1,2-dibromoethane, chlorinated benzenes, ethylbenzene, and naphthalene at concentrations commonly found in surface and groundwater were incubated under anoxic conditions to study their transformability in the presence of denitrifying bacteria. None of the aromatic compounds showed significant utilization relative to sterile controls ...

-Sorption and desorption of two neutral, nonpolar organic compounds, 1,2-dibromoethane (EDB, a soil fumigant) and trichloroethene (TCE, an industrial solvent and common ground-water contaminant), by pyrophyllite, kaolinite, illite, and smectite were investigated. For sorption, vapors of the compounds in a stream of dry N2 gas were passed through columns of the powdered clay minerals for differe...