View source for Rep:Mod:pk1615Yr3exercise1jmol

=exercise 1 jmols=

{| class="wikitable"
! Ethene MO's
! Butadiene MO's
! Transition state Mo's
|-
| Ethene-φ1 HOMO 
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>200</size>
 <script>frame 6; mo 6; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>ETHENE OPT MINpk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>
| Butadiene-φ2 HOMO
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>200</size>
 <script>frame 34; mo 11; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>BUTADIENE OPT MIN PM6 pk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>
| Transition state HOMO 1
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>200</size>
 <script>frame 16; mo 16; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>CH OPT TS PM6 pk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>
|-
| Ethene-φ2 LUMO
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>200</size>
 <script>frame 6; mo 7; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>ETHENE OPT MINpk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>
| Butadiene-φ3 LUMO
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>200</size>
 <script>frame 34; mo 12; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>BUTADIENE OPT MIN PM6 pk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>
| Transition state HOMO 2
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>200</size>
 <script>frame 16; mo 17; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>CH OPT TS PM6 pk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>
|-
| 
| 
| Transition state LUMO 1
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>200</size>
 <script>frame 16; mo 18; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>CH OPT TS PM6 pk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>
|-
| 
| 
| Transition state LUMO 2
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>200</size>
 <script>frame 16; mo 19; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>CH OPT TS PM6 pk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>
|} 



Ethene HOMO
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>200</size>
 <script>frame 6; mo 6; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>ETHENE OPT MINpk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>

Ethene LUMO
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>200</size>
 <script>frame 6; mo 7; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>ETHENE OPT MINpk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>

Butadiene HOMO
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>400</size>
 <script>frame 34; mo 11; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>BUTADIENE OPT MIN PM6 pk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>

Butadiene LUMO
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>400</size>
 <script>frame 34; mo 12; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>BUTADIENE OPT MIN PM6 pk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>

Transition state HOMO 1
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>200</size>
 <script>frame 16; mo 16; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>CH OPT TS PM6 pk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>

Transition state HOMO 2
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>200</size>
 <script>frame 16; mo 17; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>CH OPT TS PM6 pk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>

Transition state LUMO 1
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>200</size>
 <script>frame 16; mo 18; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>CH OPT TS PM6 pk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>

Transition state LUMO 2
<jmol>
 <jmolApplet> 
 <color>white</color>
 <size>200</size>
 <script>frame 16; mo 19; mo nodots nomesh fill translucent; mo titleformat ""; set antialiasdisplay on</script>
 <uploadedFileContents>CH OPT TS PM6 pk1615.LOG</uploadedFileContents>
 </jmolApplet>
</jmol>