Using the given table, need help with this question. Thank you :) In which part of the UV-Visible spectrum are these é - î* excitations expected to be observed? Table 4: Vertical excitation energies (in eV) and oscillator strengths. Give all values to two decimalplaces.CISB3LYPMolecule SymmetryExp. excitation energy, evfEexc, ev7.20¹B3u8.54Ethylene0.195.636.47Butadiene Bu1.074.655.31Hexatriene ¹ Bu1.70Eexc, ev7.766.315.42f0.130.651.07

To describe in which part of UV-Vis spectrum does the given π→π* transitions occur.

Answered: In which part of the UV-Visible…

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In which part of the UV-Visible spectrum are these - * excitations expected to be observed?

Physical Chemistry

2nd Edition

ISBN:9781133958437

Author:Ball, David W. (david Warren), BAER, Tomas

Publisher:Ball, David W. (david Warren), BAER, Tomas

Chapter14: Rotational And Vibrational Spectroscopy

Section: Chapter Questions

Problem 14.64E

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Question

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Using the given table, need help with this question. Thank you :)

In which part of the UV-Visible spectrum are these é - î* excitations expected to be observed?

Table 4: Vertical excitation energies (in eV) and oscillator strengths. Give all values to two decimal
places.
CIS
B3LYP
Molecule Symmetry
Exp. excitation energy, ev
f
Eexc, ev
7.20
¹B3u
8.54
Ethylene
0.19
5.63
6.47
Butadiene Bu
1.07
4.65
5.31
Hexatriene ¹ Bu
1.70
Eexc, ev
7.76
6.31
5.42
f
0.13
0.65
1.07

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