Title of article :
Gas-phase protolysis between a neutral Brّnsted acid and a neutral Brّnsted base?
Author/Authors :
Catalلn، نويسنده , , Javier and Palomar، نويسنده , , José، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1998
Pages :
4
From page :
511
To page :
514
Abstract :
In order to connect the intrinsic basicity and acidity scales neutral molecules with high basicity and acidity are studied by density functional theory (B3LYP). Where placing the adequate molecules together they would undergo an intrinsic protolysis, and spontaneously the corresponding conjugate acid and base would be generated by a proton transfer process. Our accurate theoretical results bring forward, for the first time, evidence of the above-mentioned type of reactions, and they also show the excellent correlation of both the intrinsic basicity and acidity scales, which were determined independently.
Journal title :
Chemical Physics Letters
Serial Year :
1998
Journal title :
Chemical Physics Letters
Record number :
1775078
Link To Document :
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