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Consider the cis-1,3-butadiene that has a C2v point group (structure is shown below). Using LCAO-MO Hückel approximation in answering the following questions: - (A) What are the 4 normalized SALCS? (B) What is the delocalization energy or stabilization energy (D. E)? (Hint: D. E. = 2a + 2B for ethylene) (C) Identify the HOMO and LUMO orbitals. (D) Find out the normalized MO wave functions of the occupied MOs? (E) Determine the bond order (B.O) between (C1 and C2); and (C2 and C3).

Consider the cis-1,3-butadiene that has a C2v point group (structure is shown below). Using LCAO-MO Hückel approximation in answering the following questions: - (A) What are the 4 normalized SALCS? (B) What is the delocalization energy or stabilization energy (D. E)? (Hint: D. E. = 2a + 2B for ethylene) (C) Identify the HOMO and LUMO orbitals. (D) Find out the normalized MO wave functions of the occupied MOs? (E) Determine the bond order (B.O) between (C1 and C2); and (C2 and C3).

Chemistry
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
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Consider the cis-1,3-butadiene that has a C2v point group (structure is shown below). Using LCAO-MO Hückel approximation in answering the following questions: - (A) What are the 4 normalized SALCS? (B) What is the delocalization energy or stabilization energy (D. E)? (Hint: D. E. = 2a + 2B for ethylene) (C) Identify the HOMO and LUMO orbitals. (D) Find out the normalized MO wave functions of the occupied MOs? (E) Determine the bond order (B.0) between (C1 and C2); and (C2 and C3).
Transcribed Image Text:Consider the cis-1,3-butadiene that has a C2v point group (structure is shown below). Using LCAO-MO Hückel approximation in answering the following questions: - (A) What are the 4 normalized SALCS? (B) What is the delocalization energy or stabilization energy (D. E)? (Hint: D. E. = 2a + 2B for ethylene) (C) Identify the HOMO and LUMO orbitals. (D) Find out the normalized MO wave functions of the occupied MOs? (E) Determine the bond order (B.0) between (C1 and C2); and (C2 and C3).
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