The "particle-in-a-box" problem consists of a particle of mass, m, containedwithin a one-dimensional well potential of length, L, for which the potentialenergy is zero for 0 < x< L, and infinite elsewhere. The allowedwavefunctions and energy levels of such a particle are given by theexpressions:h? n?n?; En22/, sin ();L2m L2 For trans-1,3,5-hexatriene:State, giving reasons, appropriate values of n for the HOMO andthe LUMO wavefunctions.i)

This is a quantum chemistry problem. System is 1,3,5-hexatriene.

Answered: For trans-1,3,5-hexatriene: State,…

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For trans-1,3,5-hexatriene: State, giving reasons, appropriate values of n for the HOMO and the LUMO wavefunctions. i)

Principles of Instrumental Analysis

7th Edition

ISBN:9781305577213

Author:Douglas A. Skoog, F. James Holler, Stanley R. Crouch

Publisher:Douglas A. Skoog, F. James Holler, Stanley R. Crouch

Chapter18: Raman Spectroscopy

Section: Chapter Questions

Problem 18.5QAP

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Question

The "particle-in-a-box" problem consists of a particle of mass, m, contained
within a one-dimensional well potential of length, L, for which the potential
energy is zero for 0 < x< L, and infinite elsewhere. The allowed
wavefunctions and energy levels of such a particle are given by the
expressions:
h? n?n?
; En
2
2/, sin ();
L
2m L2

For trans-1,3,5-hexatriene:
State, giving reasons, appropriate values of n for the HOMO and
the LUMO wavefunctions.
i)

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