Hydrogen Iodide
Three theoretical calculations were completed for hydrogen iodide; 321-G, SPK-DZP, and SPKr-TZP.
|
|
Jmol0 will appear here.
|
|
|
A "Ball and Stick" Model of hydrogen iodide. The hydrogen and iodine atoms are white and purple respectively.
|
|
Theoretical bond lengths were calculated via three levels of theory.
|
Bond Length (H-I) Å |
321-G
|
1.64
|
SPK-DZP
|
1.62
|
SPKr-TZP
|
1.37
|
| Experimental¹ |
1.609
|
The SPKr-TZP model was the highest level of theory calculated. The figure to the right shows the bond length of the SPKr-TZP
|
|
|
Jmol1 will appear here.
|
|
|
CLICK IMAGE TO ACTIVATE 3D
Insert a caption for HOMO Wireframe here.
|
|
Insert additional explanatory text here. Long text will wrap around Jmol model HOMO Wireframe.
|
|
|
Jmol2 will appear here.
|
|
|
CLICK IMAGE TO ACTIVATE 3D
Insert a caption for LUMO Ball Stick here.
|
|
Insert additional explanatory text here. Long text will wrap around Jmol model LUMO Ball Stick.
|
|
|
Jmol3 will appear here.
|
|
|
CLICK IMAGE TO ACTIVATE 3D
Insert a caption for HOMO Ball Stick here.
|
|
Insert additional explanatory text here. Long text will wrap around Jmol model HOMO Ball Stick.
|
|
|
Jmol4 will appear here.
|
|
|
CLICK IMAGE TO ACTIVATE 3D
Insert a caption for Electrostatic Potential here.
|
|
Insert additional explanatory text here. Long text will wrap around Jmol model Electrostatic Potential.
|
|
|
Jmol5 will appear here.
|
|
|
CLICK IMAGE TO ACTIVATE 3D
Insert a caption for Partial Atomic Charges here.
|
|
Insert additional explanatory text here. Long text will wrap around Jmol model Partial Atomic Charges.
|
|
|
Jmol6 will appear here.
|
|
|
CLICK IMAGE TO ACTIVATE 3D
Insert a caption for Dipole Moment here.
|
|
Insert additional explanatory text here. Long text will wrap around Jmol model Dipole Moment.
|
Based on template by A. Herráez as modified by J. Gutow
Using directory /Users/student/Documents/Jaime_Andy/WEBSITE/HYDROGEN IODIDE/Hydrogen iodide
adding JmolPopIn.js
...jmolApplet0
...adding Bond_Length.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/Jaime_Andy/WEBSITE/HYDROGEN IODIDE/Hydrogen iodide
...copying
file:/Users/student/Documents/Jaime_Andy/HI/HI-SPKr-TZP.log
to
...compressing large data file to
/Users/student/Documents/Jaime_Andy/WEBSITE/HYDROGEN IODIDE/Hydrogen iodide/HI-SPKr-TZP.log.gz
/Users/student/Documents/Jaime_Andy/WEBSITE/HYDROGEN IODIDE/Hydrogen iodide/HI-SPKr-TZP.log.gz
...adding Bond_Length.spt
...jmolApplet1
...adding HOMO_Wireframe.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/Jaime_Andy/WEBSITE/HYDROGEN IODIDE/Hydrogen iodide
...adding HOMO_Wireframe.spt
...jmolApplet2
...adding LUMO_Ball_Stick.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/Jaime_Andy/WEBSITE/HYDROGEN IODIDE/Hydrogen iodide
...adding LUMO_Ball_Stick.spt
...jmolApplet3
...adding HOMO_Ball_Stick.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/Jaime_Andy/WEBSITE/HYDROGEN IODIDE/Hydrogen iodide
...adding HOMO_Ball_Stick.spt
...jmolApplet4
...adding Electrostatic_Potential.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/Jaime_Andy/WEBSITE/HYDROGEN IODIDE/Hydrogen iodide
...adding Electrostatic_Potential.spt
...jmolApplet5
...adding Partial_Atomic_Charges.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/Jaime_Andy/WEBSITE/HYDROGEN IODIDE/Hydrogen iodide
...adding Partial_Atomic_Charges.spt
...jmolApplet6
...adding Dipole_Moment.png
copying and unzipping jsmol.zip directory into /Users/student/Documents/Jaime_Andy/WEBSITE/HYDROGEN IODIDE/Hydrogen iodide
...adding Dipole_Moment.spt