Bonds |
Bond Lengths (nm) |
C=C |
0.1399 |
C-C |
0.1524 |
C-C (non in aromatic, ethyl part) |
0.1535 |
C-H |
0.1094 |
Bonds |
Bond Angles |
C-C-C |
111.8 |
Jmol0 will appear here.
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CLICK IMAGE TO ACTIVATE 3D 6-21G Bond Lengths |
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CLICK IMAGE TO ACTIVATE 3D 6-21G Bond Angles |
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CLICK IMAGE TO ACTIVATE 3D 6-31G Bond Lengths |
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CLICK IMAGE TO ACTIVATE 3D 6-31G Bond Angles |
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CLICK IMAGE TO ACTIVATE 3D DZV Bond Lengths |
Bonds |
Experimental bond length (nm) |
Calculated bond length (nm) |
C=C |
0.1399 |
0.139-0.140 |
C-C |
0.1524 |
0.152 |
C-C (ethyl part) |
0.1535 |
0.154 |
C-H |
0.1094 |
0.107 |
Jmol5 will appear here.
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CLICK IMAGE TO ACTIVATE 3D DZV Bond Angles |
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CLICK IMAGE TO ACTIVATE 3D DZV HOMO |
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CLICK IMAGE TO ACTIVATE 3D DZV LUMO |
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CLICK IMAGE TO ACTIVATE 3D DZV Electrostatic Potential (-0.1, 0.1) |
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CLICK IMAGE TO ACTIVATE 3D DZV Partial Charges |
Excited state |
Oscillator Strength |
Predicted wavelength (nm) |
1 |
0.00693 |
198.3017 |
3 |
1.396 |
149.257 |
4 |
1.102 |
148.4171 |