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The relationships between activation energies and reaction energies
Lei Liu
The relationships between activation energies and reaction energies - P 836-839
The relationship between reaction energies and activation energies has been of interest for long in the field of
chemistry. Two such relationships, Brønsted–Evans–
Polanyi principle and Marcus equation, are well-known
and widely used. Here we derived an extended Marcus
equation with reaction distance. From this equation,
the parabolic curve of activation energy–reaction energy can be both upward and downward. We also predict the existence of the reverse BEP relationship in
which the activation energy decreases with the increase
of reaction endothermicity in a certain range.
BEP relationship
dehydrogenation reaction
harmonic oscillator approximation, MoO3
Marcus equation
The relationships between activation energies and reaction energies - P 836-839
The relationship between reaction energies and activation energies has been of interest for long in the field of
chemistry. Two such relationships, Brønsted–Evans–
Polanyi principle and Marcus equation, are well-known
and widely used. Here we derived an extended Marcus
equation with reaction distance. From this equation,
the parabolic curve of activation energy–reaction energy can be both upward and downward. We also predict the existence of the reverse BEP relationship in
which the activation energy decreases with the increase
of reaction endothermicity in a certain range.
BEP relationship
dehydrogenation reaction
harmonic oscillator approximation, MoO3
Marcus equation