Virtual Labs

Chemical Sciences Quantum Chemistry Experiments

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Theory

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Aim

Theory

Pretest

Procedure

Simulation

Posttest

References

Feedback

Frequency Analysis for a SN2 reaction

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Beginner

Intermediate

Advanced

How can you characterise a transition state from its frequency calculation?

a: It will have multiple negative frequency Explanation

Explanation

b: It will have one negative frequency Explanation

Explanation

c: It will one less mode of vibration Explanation

Explanation

d: It will one more mode of vibration Explanation

Explanation

Taking the example of SN2 reaction, which of the following is true?

a: The reactant has higher number of vibrational modes than transition state Explanation

Explanation

b: The transition state has higher number of vibrational modes than both products and reactants Explanation

Explanation

c: The transition state is more stable than both reactants and products Explanation

Explanation

d: SN2 reaction is always exothermic Explanation

Explanation

Which of the following statements regarding the use of catalysts is false?

a: Catalysts lower the energy of the transition state Explanation

Explanation

b: Catalysts increase the proportion of molecules that possess sufficient energy to clear the activation energy barrier Explanation

Explanation

c: Catalysts increase the number of reactions that can happen spontaneous Explanation

Explanation

d: Catalysts provide an alternative reaction pathway from reactant to product Explanation

Explanation

How many vibrational degrees of freedom will NH₃ have at its second order saddle point?

a: 6 Explanation

Explanation

b: 5 Explanation

Explanation

c: 4 Explanation

Explanation

d: 7 Explanation

Explanation

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