Hydrogen Iodide
Three theoretical calculations were completed for hydrogen iodide; 321-G, SPK-DZP, and SPKr-TZP.
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A "Ball and Stick" Model of hydrogen iodide. The hydrogen and iodine atoms are white and purple respectively.
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Theoretical bond lengths were calculated via three levels of theory.
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Bond Length (H-I) Å |
321-G
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1.64
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SPK-DZP
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1.62
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SPKr-TZP
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1.37
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Experimental¹ |
1.609
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The SPKr-TZP model was the highest level of theory calculated. The figure to the right shows the bond length of the SPKr-TZP
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Based on template by A. Herráez as modified by J. Gutow
Using directory /Users/student/Documents/Jaime_Andy/WEBSITE/HYDROGEN IODIDE/Hydrogen iodide
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file:/Users/student/Documents/Jaime_Andy/HI/HI-SPKr-TZP.log
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/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
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