Educational Applications of IR and Raman Spectroscopy: A Comparison of Experiment and Theory

Journal of Chemical Education

Volumn 77, Issue 5, 2000, Pages 654-660

  McClain, Brian L ^a   Clark, Sara M ^a   Gabriel, Ryan L ^a   Ben Amotz, Dor ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0346483317     PISSN: 00219584     EISSN: None     Source Type: Journal    
DOI: 10.1021/ed077p654     Document Type: Article

References (29)

1. Melendez, Y.; Schrum, K. F.; Ben-Amotz, D. Appl. Spectrosc. 1997, 51, 1176.
2. LaPlant, F.; Laurence, G.; Ben-Amotz, D. Appl. Spectrosc. 1996, 50, 1034.
3. Ben-Amotz, D.; LaPlant, F.; Jiang, Y.; Beirmann, T. In Proceedings of the Polyurethanes 1994 Conference; Technomic: Lancaster PA, 1994; p 375.
4. Ma, J.; Ben-Amotz, D. Appl. Spectrosc. 1997, 51, 1845.
5. Morris, H. R.; Hoyt, C. C.; Treado, P. J. Appl. Spectrosc. 1994, 48, 857.
6. Pallister, D. M.; Govil, A.; Morris, M. D.; Colburn, W. S. Appl. Spectrosc. 1994, 48, 1015.
7. Glice, M. M.; Les, A.; Bajdor, K. J. Mol. Struct. 1998, 450, 141.
8. Hernandez, B.; Elass, A.; Navarro, R.; Vergoten, G.; Hernanz, A. J. Phys. Chem. B 1998, 102, 4233.
9. Segall, M. D.; Payne, M. C.; Ellis, S. W.; Tucker, G. T.; Boyes, R. N. Eur. J. Drug Metab. Pharmacokinet. 1997, 22, 283.
10. Hehre, W. J.; Random, L.; Schleyer, P. v. R.; Pople, J. A. Ab Initio Molecular Orbital Theory; Wiley: New York, 1986; Chapter 2.
11. Foresman, J. B. In What Every Chemist Should Know about Computing; Swift, M. L.; Zielinski, T. J., Eds.; ACS Books: Washington, DC, 1986; Chapter 14.
12. Harnly, J. M.; Fields, R. E. Appl. Spectrosc. 1997, 51, 334A
13. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; AlLaham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision D.2; Gaussian, Inc.: Pittsburgh PA, 1995.
14. Skoog, D. A.; Leary, J. J. Principles of Instrumental Analysis, 4th ed.; Harcourt Brace Jovanovich: New York, 1992; p 296.
15. Atkins, P. W. Physical Chemistry, 5th ed.; Freeman: New York, 1978; p 576.
16. Freundt, K. J.; Liebaldt, G. P.; Lieberwirth, E. Toxicology 1977, 7, 141.
17. The Merk Index, 11th ed.; Budavari, S., Ed.; Merk and Co.: Rahway, NJ, 1989; p 94.
18. LaPlant, F.; Ben-Amotz, D. Rev. Sci. Instrum. 1995, 66, 3537.
19. Foresman, J. B.; Frisch, Æ. Exploring Chemistry with Electronic Structure Methods, 2nd ed.; Gaussian: Pittsburgh, 1996.
20. Fabian, J.; Herzog, K. Vib. Spectrosc. 1998, 16, 77.
21. Harris, D. C.; Bertolucci, M. D. Symmetry and Spectroscopy; Dover: New York, 1989.
22. Bernath, P. F. Spectra of Atoms and Molecules; Oxford: New York, 1995; pp 35, 210, 242.
23. Herzberg, G. Spectra of Diatomic Molecules, 2nd ed.; Van Nostrand: New York, 1950; Table 39.
24. Wilson, E. B.; Decius, J. C.; Cross, P. C. Molecular Vibrations; McGraw-Hill: New York, 1955; p 171.
25. Szabo, A.; Ostlund, N. S. Modern Quantum Chemistry; Dover: New York, 1989.
26. Wong, M. W. Chem. Phys. Lett. 1996, 256, 391.
27. Scott, A. P.; Radom, L. J. Phys. Chem. 1996, 100, 16502.
28. Bevington, P. R.; Robinson, D. K. Data Reduction and Error Analysis for the Physical Sciences, 2nd ed.; McGraw-Hill: New York, 1992; p 10.
29. Shimanouchi, T. Tables of Molecular Vibrational Frequencies Consolidated Volume I; U.S. Department of Commerce, National Bureau of Standards. U.S. Government Printing Office: Washington, DC, 1972; SD Catalog No. Cl3.48:39, Stock Number 0303-0845.