Vibrational Energies of
Phenol
The vibrational energy 4086.34 cm-1 is related to the O-H bond
stretch. Experimentally this occurs as a very broad peak
centered at 3215 cm-1.
The vibrational energies 3408.93 cm-1 and 3383.65 cm-1 are
related to C-H stretching on an aromatic ring. Five vibrational
energies were found ranging from 3351 to 3409 cm-1.
Experimentally these should be at 2855 to 2956 cm-1.
The vibrational energies 1789.91 cm-1 and 1771.73 cm-1 are
related to the conjugated C-C aromatic stretching. Four energies
were found for these ranging from 1618 to 1790 cm-1.
Experimentally there are four peaks ranging from 1450 to 1600
cm-1
1359.22 cm-1. This vibrational energy related to the C-O
stretch. Experimentally this occurs at 1224 cm-1.
The vibrational energies 1156.5 cm-1, 1085.87 cm-1, and 1048.33
cm-1are related to the aromatic C-C bending. Five to six
energies ranging from 1048 to 1157 cm-1 were found.
Experimentally there are many small peaks (8+) ranging from 900
to 1050 cm-1
The vibrational energies 971.26 cm-1 and 789.32 cm-1are related
to the C-H bending. Three energies were found for these ranging
from 789 to 971 cm-1. Experimentally three energies were found
ranging from 680 to 860 cm-1.
Based on template by A. Herráez as modified by J. Gutow
Using directory /Users/student2/Desktop/KurtzEWebsite/JmolPhenolVib
adding JmolPopIn.js
...jmolApplet0
...adding 4086_34_cm-1.png
...copying
./Jmol.js
to
/Users/student2/Desktop/KurtzEWebsite/JmolPhenolVib/Jmol.js
...copying
./JmolApplet.jar
to
/Users/student2/Desktop/KurtzEWebsite/JmolPhenolVib/JmolApplet.jar
...copying
file:/Users/student2/Desktop/KutzEmmanuel/phenolfolder/PhenolDVZVIB.log
to
...compressing large data file to
/Users/student2/Desktop/KurtzEWebsite/JmolPhenolVib/PhenolDVZVIB.log.gz
/Users/student2/Desktop/KurtzEWebsite/JmolPhenolVib/PhenolDVZVIB.log.gz
...adding 4086_34_cm-1.spt
...jmolApplet1
...adding 3408_93_cm-1.png
...adding 3408_93_cm-1.spt
...jmolApplet2
...adding 3383_65_cm-1.png
...adding 3383_65_cm-1.spt
...jmolApplet3
...adding 1789_91_cm-1.png
...adding 1789_91_cm-1.spt
...jmolApplet4
...adding 1771_73_cm-1.png
...adding 1771_73_cm-1.spt
...jmolApplet5
...adding 1359_22_cm-1.png
...adding 1359_22_cm-1.spt
...jmolApplet6
...adding 1156_5_cm-1.png
...adding 1156_5_cm-1.spt
...jmolApplet7
...adding 1085_87_cm-1.png
...adding 1085_87_cm-1.spt
...jmolApplet8
...adding 1048_33_cm-1.png
...adding 1048_33_cm-1.spt
...jmolApplet9
...adding 971_26_cm-1.png
...adding 971_26_cm-1.spt
...jmolApplet10
...adding 789_32_cm-1.png
...adding 789_32_cm-1.spt