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Jmol0 will appear here.
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The highest
occupied molecular orbital
of
H2CS; orbital 12.
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This disjointed array of orbitals represents the grouping containing the highest energy electrons of H2CS.
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The picture illustrates the shape of the 13th orbital shell of H2CS, its lowest unoccupied shell.
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Jmol1 will appear here.
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H2CS model of the lowest unoccupied molecular orbitals. |
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The diagram shows a map of the
charge distribution through out H2CS. Cool colors, such as blue, depict
more negatively charged areas.
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Jmol2 will appear here.
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Map of charge distribution of H2CS.
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Dipole Moments of H2CS and Benzoic Acid
H2CS
Level of Theory Dipole Moment (in Debeyes)
AMI
2.119675
DZV
2.154723
PM3
2.074266
621-G
2.447574
631-G
2.572209
Benzoic Acid
Level of Theory Dipole Moment (in Debeyes)
AMI
2.417831
DZV
2.492621
PM3
2.252452
621-G
1.998134
631-G
2.446429
Molecular model of H2CS, including
separation of charges between the individual atoms. Due to the
existence of partial charges, this molecule is considered polar.
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Jmol3 will appear here.
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Charge separation of H2CS.
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Based on template by A. Herráez as modified by J. Gutow
Using directory /Users/student/Documents/kaitlynrosswebpage/H2CSnewwebpage
adding JmolPopIn.js
...jmolApplet0
...adding HOMOH2CS.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/kaitlynrosswebpage/H2CSnewwebpage
...copying
file:/Users/student/Documents/kaitlynrosswebpage/h2csmacmolDZV.log
to
/Users/student/Documents/kaitlynrosswebpage/H2CSnewwebpage/h2csmacmolDZV.log
...adding HOMOH2CS.spt
...jmolApplet1
...adding LUMOH2CS.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/kaitlynrosswebpage/H2CSnewwebpage
...adding LUMOH2CS.spt
...jmolApplet2
...adding electrostaticH2CS.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/kaitlynrosswebpage/H2CSnewwebpage
...adding electrostaticH2CS.spt
...jmolApplet3
...adding partialchargesH2CS.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/kaitlynrosswebpage/H2CSnewwebpage
...adding partialchargesH2CS.spt