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1. Consider cyclobutadiene molecule (structure is shown below) has a point group Dah. Using LCAO-MO Hückel approximation in answering the following questions: 2 Cyclobutadiene (A) What are the 4 normalized SALCS? (B) What are the MO energies? Show the energy scale. (C) What are the 4 normalized MO wave functions? (D) What is the delocalization energy or stabilization energy (D. E)? (E) Determine the bond order (B. O) between (Ci and C2); and (C2 and C). (E) Identify the HOMO and LUMO orhitals

1. Consider cyclobutadiene molecule (structure is shown below) has a point group Dah. Using LCAO-MO Hückel approximation in answering the following questions: 2 Cyclobutadiene (A) What are the 4 normalized SALCS? (B) What are the MO energies? Show the energy scale. (C) What are the 4 normalized MO wave functions? (D) What is the delocalization energy or stabilization energy (D. E)? (E) Determine the bond order (B. O) between (Ci and C2); and (C2 and C). (E) Identify the HOMO and LUMO orhitals

Introduction to Chemical Engineering Thermodynamics
Introduction to Chemical Engineering Thermodynamics
8th Edition
ISBN:9781259696527
Author:J.M. Smith Termodinamica en ingenieria quimica, Hendrick C Van Ness, Michael Abbott, Mark Swihart
Publisher:J.M. Smith Termodinamica en ingenieria quimica, Hendrick C Van Ness, Michael Abbott, Mark Swihart
Chapter1: Introduction
Section: Chapter Questions
Problem 1.1P
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Answer all questions: 1. Consider cyclobutadiene molecule (structure is shown below) has a point group Da. Using LCAO-MO Hückel approximation in answering the following questions: z 3 2 Cyclobutadiene (A) What are the 4 normalized SALCs? (B) What are the MO energies? Show the energy scale. (C) What are the 4 normalized MO wave functions? (D) What is the delocalization energy or stabilization energy (D. E)? (E) Determine the bond order (B. O) between (C1 and C2); and (C2 and Cs). (F) Identify the HOMO and LUMO orbitals.
Transcribed Image Text:Answer all questions: 1. Consider cyclobutadiene molecule (structure is shown below) has a point group Da. Using LCAO-MO Hückel approximation in answering the following questions: z 3 2 Cyclobutadiene (A) What are the 4 normalized SALCs? (B) What are the MO energies? Show the energy scale. (C) What are the 4 normalized MO wave functions? (D) What is the delocalization energy or stabilization energy (D. E)? (E) Determine the bond order (B. O) between (C1 and C2); and (C2 and Cs). (F) Identify the HOMO and LUMO orbitals.
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