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Aim

Theory

Pretest

Procedure

Simulation

Posttest

References

Feedback

Intrinsic Reaction Co-ordinate for a SN2 reaction

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Beginner

Intermediate

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What is the intrinsic reaction coordinate (IRC)?

a: It is the steepest descent path path from a transition state connecting to the corresponding minima Explanation

Explanation

b: It is the path connecting the reactant and products on the potential energy surface Explanation

Explanation

c: It is the mass weighted steepest descent path from a transition state connecting to the corresponding minima Explanation

Explanation

d: It is the path connecting two transition states on the potential energy surface Explanation

Explanation

Are IRC and minimum energy path (MEP) same?

a: True Explanation

Explanation

b: False Explanation

Explanation

The eigenvector corresponding to which of the following defines the initial condition for IRP?

a: Eigenvector corresponding to all the 3N-6 frequencies Explanation

Explanation

b: Eigenvector corresponding to the imaginary frequency Explanation

Explanation

c: Eigenvectors are not required for defining the initial condition Explanation

Explanation

d: Eigenvector corresponding to the largest frequency Explanation

Explanation

The eigenvectors are obtained by:

a: Diagonalizing the force constant matrix Explanation

Explanation

b: Taking an inverse of the force constant matrix followed by diagonalization Explanation

Explanation

c: Linear combination of cartesian coordinates of the atoms Explanation

Explanation

d: None of the above Explanation

Explanation

The change is curvature along the IRP is

a: Positive to negative Explanation

Explanation

b: Positive to positive Explanation

Explanation

c: Negative to negative Explanation

Explanation

d: Negative to positive Explanation

Explanation

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