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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Question
PES Maximum at 0°:
PES Maximum at 90°:
![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 (°)](/v2/_next/image?url=https%3A%2F%2Fcontent.bartleby.com%2Fqna-images%2Fquestion%2Fec1d6992-2cad-44e0-9e5d-0df4d5512eb6%2Ff783976c-0eba-42db-b871-1122c56c187b%2Ftiiynb6_processed.png&w=3840&q=75)
Transcribed Image Text: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 (°)
![3) The Suzuki-Miyaura reaction is an effective method for generating a C-C bond between two sp²-
hybridized C-atoms. Answer the following questions about the coupling of 3-furanylboronic acid and
1-bromo-4-nitrobenzene to form 3-(4'-nitrophenyl)furan.
OH
NO2
Pd. cat
B
-NO2
OH
Br
KOH/solvent](/v2/_next/image?url=https%3A%2F%2Fcontent.bartleby.com%2Fqna-images%2Fquestion%2Fec1d6992-2cad-44e0-9e5d-0df4d5512eb6%2Ff783976c-0eba-42db-b871-1122c56c187b%2F58p3wof_processed.png&w=3840&q=75)
Transcribed Image Text:3) The Suzuki-Miyaura reaction is an effective method for generating a C-C bond between two sp²-
hybridized C-atoms. Answer the following questions about the coupling of 3-furanylboronic acid and
1-bromo-4-nitrobenzene to form 3-(4'-nitrophenyl)furan.
OH
NO2
Pd. cat
B
-NO2
OH
Br
KOH/solvent
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