Silber spiegel - SwissEduc
Silber spiegel - SwissEduc
Silber spiegel - SwissEduc
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© c+b 3/04<br />
Mechanisms<br />
The key energetic quantities are labelled as follows:<br />
Mechanism 1:<br />
V (R) is the reactant’s potential energy.<br />
ΔV Δ (I ) is the well depth for the fi rst intermediate.<br />
1<br />
ΔV Δ (TS ) is the net activation barrier for the forward reaction.<br />
1<br />
ΔV Δ A VA V is the intrinsic activation barrier for the forward reaction.<br />
ΔV Δ (I ) is the well depth for the second intermediate.<br />
2<br />
ΔV° Δ is the forward reaction energy.<br />
Mechanism 2:<br />
V (R) is the reactant’s potential energy.<br />
ΔV Δ (TS ) (= ΔV Δ 1 A VA V ) is the net and intrinsic activation barrier involving<br />
1<br />
the fi rst transition state for the forward reaction.<br />
ΔV Δ (I ) is the well depth for the fi rst intermediate.<br />
1<br />
ΔV Δ (TS ) is the net activation barrier involving the second transition<br />
2<br />
state for the forward reaction.<br />
ΔV Δ A VA V is the intrinsic activation barrier involving the second transition state.<br />
2<br />
ΔV Δ (I ) is the well depth for the second intermediate.<br />
2<br />
ΔV Δ (TS ) is the net activation barrier involving the third transition state<br />
3<br />
for the forward reaction.<br />
ΔV Δ A VA V is the intrinsic activation barrier involving the third transition state.<br />
3<br />
ΔV Δ (I ) is the well depth for the third intermediate.<br />
3<br />
ΔV Δ (TS<br />
) is the net activation barrier involving the fourth transition state for<br />
4<br />
the forward reaction.<br />
ΔV Δ A VA V is the intrinsic activation barrier involving the fourth transition state.<br />
4<br />
ΔV Δ (I ) is the well depth for the fourth intermediate.<br />
4<br />
ΔV° Δ is the forward reaction energy.<br />
Mechanism 3:<br />
V (R) is the reactant’s potential energy.<br />
V (I ) is the well depth for the fi rst intermediate.<br />
1<br />
ΔV Δ (TS ) is the net activation barrier for the forward reaction.<br />
1<br />
ΔV Δ A VA V is the intrinsic activation barrier for the forward reaction.<br />
ΔV Δ (I ) is the well depth for the second intermediate.<br />
2<br />
ΔV° Δ<br />
is the forward reaction energy.<br />
41<br />
3/04