2-chlorobiphenyl
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Jmol0 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from PM3 Calculations |
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2-chlorobiphenyl Model using PM3 calculations. Click on the image to view the calculated bond angles.
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Jmol1 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from PM3 Calculations |
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2-chlorobiphenyl Model using PM3 calculations. Click on the image to view the calculated bond lengths.
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Jmol2 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from 6-21G Calculations |
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2-chlorobiphenyl Model using 6-21G calculations. Click on the image to view the calculated bond angles.
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Jmol3 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from 6-21G Calculations |
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2-chlorobiphenyl Model using 6-21G calculations. Click on the image to view the calculated bond lengths.
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Jmol4 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from 6-31G Calculations
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2-chlorobiphenyl Model using 6-31G calculations. Click on the image to view the calculated bond angles.
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Jmol5 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from 6-31G Calculations |
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2-chlorobiphenyl Model using 6-31G calculations. Click on the image to view the calculated bond lengths.
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Jmol6 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from DZV Calculations |
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2-chlorobiphenyl Model using DZV calculations. Click on the image to view the calculated bond angles.
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Jmol7 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from DZV Calculations |
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2-chlorobiphenyl Model using DZV calculations. Click on the image to view the calculated bond lengths.
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Jmol8 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from DZV Calculations |
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2-chlorobiphenyl Model using DZV calculations. Click on the image to view the calculated dihedral bond length.
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Jmol9 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from DZV Calculations showing HOMO
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2-chlorobiphenyl Model using DZV calculations. Click on the image to view the Highest Occupied Molecular Orbital.
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Jmol10 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from DZV Calculations showing LUMO
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2-chlorobiphenyl Model using DZV calculations. Click on the image to view the Lowest Unoccupied Molecular Orbital.
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Jmol11 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from DZV Calculations showing electrostatic potential
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2-chlorobiphenyl Model using DZV calculations. Click on the image to view the electrostatic potential.
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Jmol12 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from DZV Calculations showing partial charges
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2-chlorobiphenyl Model using DZV calculations. Click on the image to view the calculated partial charges.
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Jmol13 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from DZV showing the C-Cl vibration |
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2-chlorobiphenyl Model using
DZV calculations. Click on the image to view the animation of the C-Cl
vibration that occurs at 734 cm-1.
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Jmol14 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from DZV showing the C-H stretch vibration |
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2-chlorobiphenyl Model
using DZV calculations. Click on the image to view the animation of the
C-H stretch vibration that occurs at 3391 cm-1.
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Jmol15 will appear here.
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CLICK IMAGE TO ACTIVATE 3D
2-chlorobiphenyl Model from DZV showing the C-C stretch vibration |
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2-chlorobiphenyl Model
using DZV calculations. Click on the image to view the animation of the
C-C stretch vibration that occurs at 1603 cm-1.
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Based on template by A. Herráez as modified by J. Gutow
Using directory /Users/student/Documents/ZACGCK/Aromatic
adding JmolPopIn.js
...jmolApplet0
...adding Aromatic_PM3_Bond_Angles.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...copying
file:/Users/student/Documents/ZacGage_Lab2/2-Cholorobiphenyl/2-Cholorobiphenyl_PM3.log
to
...compressing large data file to
/Users/student/Documents/ZACGCK/Aromatic/2-Cholorobiphenyl_PM3.log.gz
/Users/student/Documents/ZACGCK/Aromatic/2-Cholorobiphenyl_PM3.log.gz
...adding Aromatic_PM3_Bond_Angles.spt
...jmolApplet1
...adding Aromatic_PM3_Bond_Lengths.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...adding Aromatic_PM3_Bond_Lengths.spt
...jmolApplet2
...adding Aromatic_6-21G_Bond_Angles.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...copying
file:/Users/student/Documents/ZacGage_Lab2/2-Cholorobiphenyl/2-Cholorobiphenyl_621G.log
to
...compressing large data file to
/Users/student/Documents/ZACGCK/Aromatic/2-Cholorobiphenyl_621G.log.gz
/Users/student/Documents/ZACGCK/Aromatic/2-Cholorobiphenyl_621G.log.gz
...adding Aromatic_6-21G_Bond_Angles.spt
...jmolApplet3
...adding Aromatic_6-21G_Bond_Lengths.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...adding Aromatic_6-21G_Bond_Lengths.spt
...jmolApplet4
...adding Aromatic_6-31G_Bond_Angles.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...copying
file:/Users/student/Documents/ZacGage_Lab2/2-Cholorobiphenyl/2-Cholorobiphenyl_631G.log
to
...compressing large data file to
/Users/student/Documents/ZACGCK/Aromatic/2-Cholorobiphenyl_631G.log.gz
/Users/student/Documents/ZACGCK/Aromatic/2-Cholorobiphenyl_631G.log.gz
...adding Aromatic_6-31G_Bond_Angles.spt
...jmolApplet5
...adding Aromatic_6-31G_Bond_Lengths.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...adding Aromatic_6-31G_Bond_Lengths.spt
...jmolApplet6
...adding Aromatic_DZV_Bond_Angles.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...copying
file:/Users/student/Documents/ZacGage_Lab2/2-Cholorobiphenyl/2-Cholorobiphenyl_DZV.log
to
...compressing large data file to
/Users/student/Documents/ZACGCK/Aromatic/2-Cholorobiphenyl_DZV.log.gz
/Users/student/Documents/ZACGCK/Aromatic/2-Cholorobiphenyl_DZV.log.gz
...adding Aromatic_DZV_Bond_Angles.spt
...jmolApplet7
...adding Aromatic_DZV_Bond_Lengths.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...adding Aromatic_DZV_Bond_Lengths.spt
...jmolApplet8
...adding Aromatic_DZV_Dihedryl_Angle.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...adding Aromatic_DZV_Dihedryl_Angle.spt
...jmolApplet9
...adding Aromatic_DZV_HOMO.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...adding Aromatic_DZV_HOMO.spt
...jmolApplet10
...adding Aromatic_DZV_LUMO.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...adding Aromatic_DZV_LUMO.spt
...jmolApplet11
...adding Aromatic_DZV_Electrostatic_Potential.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...adding Aromatic_DZV_Electrostatic_Potential.spt
...jmolApplet12
...adding Aromatic_DZV_Partial_Charges.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...adding Aromatic_DZV_Partial_Charges.spt
...jmolApplet13
...adding Aromatic_vib_734cm-1_C-CL_.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...copying
file:/Users/student/Documents/ZacGage_Lab2/2-Cholorobiphenyl/2-Cholorobiphenyl_DZV_VIB.log
to
...compressing large data file to
/Users/student/Documents/ZACGCK/Aromatic/2-Cholorobiphenyl_DZV_VIB.log.gz
/Users/student/Documents/ZACGCK/Aromatic/2-Cholorobiphenyl_DZV_VIB.log.gz
...adding Aromatic_vib_734cm-1_C-CL_.spt
...jmolApplet14
...adding Aromatic_vib_3391_cm-1_C-H_stretch.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...adding Aromatic_vib_3391_cm-1_C-H_stretch.spt
...jmolApplet15
...adding Aromatic_vib_1603_cm-1_C-C_stretch.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/ZACGCK/Aromatic
...adding Aromatic_vib_1603_cm-1_C-C_stretch.spt