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

Chemistry
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Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste
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Chapter1: Chemical Foundations
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In which part of the UV-Visible spectrum are these é - î* excitations expected to be observed?
Transcribed Image Text: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
Transcribed Image Text: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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