Elements Of Physical Chemistry
Elements Of Physical Chemistry
7th Edition
ISBN: 9780198796701
Author: ATKINS, P. W. (peter William), De Paula, Julio
Publisher: Oxford University Press
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Chapter 9, Problem 9.12P

(a)

Interpretation Introduction

Interpretation:

The form of two occupied orbitals in butadiene predicted by free electron molecular orbital (FEMO) theory has to be sketched.  Also the minimum excitation energy has to be predicted.

Concept Introduction:

The orbitals are considered as particle in box wave functions.  The energy of particle can be written as follows,

  En=n2h28mL2,n=1,2,3,...

Where,

    h=6.626×1034Jsm=9.1×1031kg

En is the energy of nth orbital.

n is the principal quantum number.

L is the length of the box.

The wave function of particle in nth orbital (ψn) can be written as follows,

  ψn=2LsinnπxL,n=1,2,3,...

(b)

Interpretation Introduction

Interpretation:

The minimum excitation energy of tetraene has to be calculated.  Also the HOMO and LUMO has to be sketched.

Concept Introduction:

The orbitals are considered as particle in box wave functions.  The energy of particle can be written as follows,

En=n2h28mL2,n=1,2,3,...

Where,

    h=6.626×1034Jsm=9.1×1031kg

En is the energy of nth orbital.

n is the principal quantum number.

L is the length of the box.

The wave function of particle in nth orbital (ψn) can be written as follows,

ψn=2LsinnπxL,n=1,2,3,...

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