b) The B3LYP/6-31G(d) energy-minimized structure of 3-(4'-nitrophenyl)furan is shown below on an overlay of the conformational potential energy surface (PES). The inter-ring dihedral angle is approximately 22°. Briefly explain why the molecular structures with inter-ring dihedral angles of 0° and 90° are energy maxima. 3.50 3.00 2.50 2.00 22° 1.50 1.00 0.50 0.00 0.0 60.0 120.0 180.0 240.0 300.0 360.0 Inter-ring dihedral angle (°)

b) The B3LYP/6-31G(d) energy-minimized structure of 3-(4'-nitrophenyl)furan is shown below on an overlay of the conformational potential energy surface (PES). The inter-ring dihedral angle is approximately 22°. Briefly explain why the molecular structures with inter-ring dihedral angles of 0° and 90° are energy maxima. 3.50 3.00 2.50 2.00 22° 1.50 1.00 0.50 0.00 0.0 60.0 120.0 180.0 240.0 300.0 360.0 Inter-ring dihedral angle (°)

Chemistry

10th Edition

ISBN:9781305957404

Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste

Publisher:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste

Chapter1: Chemical Foundations

Section: Chapter Questions

Problem 1RQ: Define and explain the differences between the following terms. a. law and theory b. theory and...

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