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Jmol0 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.1 (Benzoic Acid 81.29).
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Figure 3.1 is the first vibrational mode at 81.29 cm^1.This is a wiggle in the fingerprint region.
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Jmol1 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.2 (Benzoic Acid 181.48).
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Figure 3.2 is the second vibrational mode at 181.48 cm^-1.
This is a wiggle in the fingerprint region.
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Jmol2 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.3 (Benzoic Acid 230.84).
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Figure 3.3 is the third vibrational mode at 230.84 cm^1.
This is a wiggle in the fingerprint region.
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Jmol3 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.4 (Benzoic Acid 408.32).
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Figure 3.4 is the fourth vibrational mode at 408.32 cm^1.
This is a wiggle in the fingerprint region.
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Jmol4 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.5 (Benzoic Acid 465.03).
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Figure 3.5 is the fifth vibrational mode at 465.03 cm^1.
This is a wiggle in the fingerprint region.
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Jmol5 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.6 (Benzoic Acid 487.02).
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Figure 3.6 is the sixth vibrational mode at 487.02 cm^1.
This is a wiggle in the fingerprint region.
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Jmol6 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.7 (Benzoic Acid 539.59).
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Figure 3.7 is the seventh vibrational mode at 539.59 cm^1.
This is a wiggle in the fingerprint region.
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Jmol7 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.8 (Benzoic Acid 627.18).
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Figure 3.8 is the eighth vibrational mode at 627.18 cm^1.
This is a wiggle in the fingerprint region.
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Jmol8 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.9 (Benzoic Acid 674.46).
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Figure 3.9 is the ninth vibrational mode at 674.46 cm^1.
This is a wiggle in the fingerprint region.
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Jmol9 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.10 (Benzoic Acid 687.47).
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Figure 3.10 is the tenth vibrational mode at 687.47 cm^1.
This is a wiggle in the fingerprint region.
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Jmol10 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.11 (Benzoic Acid 779.42).
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Figure 3.11 is the eleventh vibrational mode at 779.42 cm^1.
This is a wiggle in the fingerprint region.
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Jmol11 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.12 (Benzoic Acid 814.11).
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Figure 3.12 is the twelfth vibrational mode at 814.11 cm^1.
This is a wiggle in the fingerprint region.
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Jmol12 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.13 (Benzoic Acid 829.41).
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Figure 3.13 is the thirteenth vibrational mode at 829.41 cm^1.
This is a wiggle in the fingerprint region.
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Jmol13 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.14 (Benzoic Acid 923.31).
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Figure 3.14 is the fourteenth vibrational mode at 923.31 cm^1.
This is a wiggle in the fingerprint region.
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Jmol14 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.15 (Benzoic Acid 995.5).
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Figure 3.15 is the fifteenth vibrational mode at 995.5 cm^1.
This is a wiggle in the fingerprint region.
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Jmol15 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.16 (Benzoic Acid 1093.29).
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Figure 3.16 is the sixteenth vibrational mode at 1093.29 cm^1.
This is a wiggle in the fingerprint region.
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Jmol16 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.17 (Benzoic Acid 1114.94).
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Figure 3.17 is the seventeenth vibrational mode at 1114.94 cm^1.
This is a wiggle in the fingerprint region.
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Jmol17 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.18 (Benzoic Acid 1129.73).
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Figure 3.18 is the eighteenth vibrational mode at 1129.73 cm^1.
This is a wiggle in the fingerprint region.
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Jmol18 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.19 (Benzoic Acid 1155.9).
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Figure 3.19 is the nineteenth vibrational mode at 1155.9 cm^1.
This is a wiggle in the fingerprint region.
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Jmol19 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.20 (Benzoic Acid 1167.68).
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Figure 3.20 is the twentieth vibrational mode at 1167.68 cm^1.
This is a wiggle in the fingerprint region.
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Jmol20 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.21 (Benzoic Acid 1173.34).
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Figure 3.21 is the twenty first vibrational mode at 1173.34 cm^1.
This is a wiggle in the fingerprint region.
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Jmol21 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.22 (Benzoic Acid 1204.63).
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Figure 3.22 is the twenty second vibrational mode at 1204.63 cm^1.
This is a wiggle in the fingerprint region.
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Jmol22 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.23 (Benzoic Acid 1281.98).
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Figure 3.23 is the twenty third vibrational mode at 1281.98 cm^1.
This is a wiggle in the fingerprint region.
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Jmol23 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.24 (Benzoic Acid 1290.24).
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Figure 3.24 is the twenty forth vibrational mode at 1290.24 cm^1.
This is a wiggle in the fingerprint region.
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Jmol24 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.25 (Benzoic Acid 1323.27).
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Figure 3.25 is the twenty fifth vibrational mode at 1323.27 cm^1.
This is a wiggle in the fingerprint region.
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Jmol25 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.26 (Benzoic Acid 1387.76).
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Figure 3.26 is the twenty sixth vibrational mode at 1387.76 cm^1.
This is a wiggle in the fingerprint region.
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Jmol26 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.27 (Benzoic Acid 1485.06).
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Figure 3.27 is the twenty seventh vibrational mode at 1485.06 cm^1.
This is a wiggle in the fingerprint region.
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Jmol27 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.28 (Benzoic Acid 1489.88).
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Figure 3.28 is the twenty eighth vibrational mode at 1489.88 cm^1.
This is a wiggle in the fingerprint region.
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Jmol28 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.29 (Benzoic Acid 1606.95).
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Figure 3.29 is the twenty ninth vibrational mode at 1606.95 cm^1.
This is a wiggle in the fingerprint region.
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Jmol29 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.30 (Benzoic Acid 1657.22).
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Figure 3.30 is the thirtieth vibrational mode at 1657.22 cm^1.
This is a wiggle in the fingerprint region.
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Jmol30 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.31 (Benzoic Acid 1771.03).
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Figure 3.31 is the thirty first vibrational mode at 1771.03 cm^1. This
is a C-C stretch generated in the benzene ring. The value is similar to
the predicted value of 1800 cm^1
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Jmol31 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.32 (Benzoic Acid 1799.05).
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Figure 3.32 is the thirty second vibrational mode at 1799.05 cm^1.
This is a C-C stretch generated in the benzene ring. The value is similar to the predicted value of 1800 cm^1
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Jmol32 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.33 (Benzoic Acid 1865.16).
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Figure 3.33 is the thirty third vibrational mode at 1865.16 cm^1.
This is a C-C stretch generated in the benzene ring. The value is similar to the predicted value of 1800 cm^1
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Jmol33 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.34 (Benzoic Acid 3400.91).
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Figure 3.34 is the thirty fourth vibrational mode at 3400.91 cm^1. This
value is from the stretching from C-H bonds. The value in the IR shows
this to be around 3100 cm^1 which is about 10% error.
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Jmol34 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.35 (Benzoic Acid 3415.16).
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Figure 3.35 is the thirty fifth vibrational mode at 3415.16 cm^1.
This value is from the stretching from C-H bonds. The value in the IR
shows this to be around 3100 cm^1 which is about 10% error.
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Jmol35 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.36 (Benzoic Acid 3427.61).
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Figure 3.36 is the thirty sixth vibrational mode at 3427.61 cm^1.
This value is from the stretching from C-H bonds. The value in the IR
shows this to be around 3100 cm^1 which is about 10% error.
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Jmol36 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.37 (Benzoic Acid 3441.81).
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Figure 3.37 is the thirty seventh vibrational mode at 3441.81 cm^1. This
value is from the stretching from C-H bonds. The value in the IR
shows this to be around 3100 cm^1 which is about 10% error.
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Jmol37 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.38 (Benzoic Acid 3454.1).
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Figure 3.38 is the thirty eighth vibrational mode at 3454.1 cm^1.
This value is from the stretching from C-H bonds. The value in the IR
shows this to be around 3100 cm^1 which is about 10% error.
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Jmol38 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.39 (Benzoic Acid 4037.23).
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Figure 3.39 is the thirty ninth vibrational mode at 4037.23 cm^1.This
value is from the O-H bond stretching. The IR value is shown to be
around 3800 cm^1 which is about 5% error.
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Jmol39 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.40 (Benzoic Acid Bond Lengths)
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Figure 3.40 shows the lengths of the bonds in the benzoic acid molecule.
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Jmol40 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.41 (Benzoic Acid angles).
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Figure 3.41 shows the molecular angles of benzoic acid.
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Jmol41 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.42 (Benzoic Acid Electrostatic Potential)
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Figure 3.42 shows the electrostatic potential of the benzoic acid molecule.
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Jmol42 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.43 (Benzoic Acid HOMO)
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Figure 3.43 shows the highest occupied molecular orbital of the benzoic acid molecule.
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Jmol43 will appear here.
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CLICK IMAGE TO ACTIVATE 3D Figure 3.44 (Benzoic Acid LUMO)
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Figure 3.44 shows the lowest unoccupied molecular orbital for benzoic acid.
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