Application of 19481-82-4. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2-Bromopropanenitrile, is researched, Molecular C3H4BrN, CAS is 19481-82-4, about Potential Energy Surfaces for Gas-Phase SN2 Reactions Involving Nitriles and Substituted Nitriles. Author is Fridgen, Travis D.; Burkell, Jami L.; Wilsily, Ashraf N.; Braun, Vicki; Wasylycia, Josh; McMahon, Terry B..
The stationary points on the potential energy surfaces for a number of gas-phase SN2 reactions have been determined using a combination of pulsed ionization high-pressure mass spectrometry. MP2/6-311++G**//B3LYP/6-311+G** calculations are shown to provide excellent agreement with the exptl. determined values, providing confidence for the use of this computational method to predict values that are not available exptl. The binding in the halide/nitrile complexes has been described in the past as either hydrogen bonding or electrostatic bonding. The trends in the binding energies observed here, though, cannot be rationalized in terms of simply hydrogen bonding or ion-dipole bonding but a mixture of the two. The computed structures support the description of binding as a mixture of hydrogen bonding and ion-dipole bonding.
As far as I know, this compound(19481-82-4)Application of 19481-82-4 can be applied in many ways, which is helpful for the development of experiments. Therefore many people are doing relevant researches.
Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI