Improved mode assignment for molecular crystals through anisotropic terahertz spectroscopy

Journal of Physical Chemistry A

Volumn 116, Issue 42, 2012, Pages 10359-10364

  Singh, Rohit ^a   George, Deepu Koshy ^a   Benedict, Jason B ^a   Korter, Timothy M ^b   Markelz, Andrea G ^a  

^a UNIVERSITY AT BUFFALO   (United States)

^b SYRACUSE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPIC RESPONSE; DIHYDRATES; LARGE BIREFRINGENCE; MODE SEPARATION; MODE-ASSIGNMENT; ORIENTATION DEPENDENCE; OXALIC ACID; RELATIVE INTENSITY; SOLID-STATE DENSITY; SUCROSE CRYSTALS; TERA HERTZ; TERAHERTZ RESPONSE; TERAHERTZ TIME DOMAIN SPECTROSCOPY;

BIREFRINGENCE; CRYSTAL ORIENTATION; DENSITY FUNCTIONAL THEORY; MOLECULAR CRYSTALS; ORGANIC ACIDS; QUARTZ; SINGLE CRYSTALS; SUGAR (SUCROSE);

ANISOTROPY;

OXALIC ACID; SUCROSE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; TERAHERTZ SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; MOLECULAR STRUCTURE; OXALIC ACID; QUANTUM THEORY; SUCROSE; TERAHERTZ SPECTROSCOPY;

EID: 84867871006     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp307288r     Document Type: Article

References (32)

1. Strachan, C. J.; Taday, P. F.; Newnham, D. A.; Gordon, K. C.; Zeitler, J. A.; Pepper, M.; Rades, T. J. Pharm. Sci. 2005, 94, 837-846
2. Walther, M.; Plochocka, P.; Fischer, B.; Helm, H.; Jepsen, P. U. Biopolymers 2002, 67, 310-313
3. Liu, D.; Chu, X.-q.; Lagi, M.; Zhang, Y.; Fratini, E.; Baglioni, P.; Alatas, A.; Said, A.; Alp, E.; Chen, S.-H. Phys. Rev. Lett. 2008, 101, 135501
4. Walther, M.; Fischer, B. M.; Jepsen, P. U. Chem. Phys. 2003, 288, 261-268
5. Liu, W.; Liu, M. X.; Zhang, S. L. Phys. Lett. A 2008, 372, 2474-2479
6. Rungsawang, R.; Ueno, Y.; Tomita, I.; Ajito, K. J. Phys. Chem. B 2006, 110, 21259-21263
7. Hoshina, H.; Morisawa, Y.; Sato, H.; Minamide, H.; Noda, I.; Ozaki, Y.; Otani, C. Phys. Chem. Chem. Phys. 2011, 13, 9173-9179
8. Jenkins, G. S.; Schmadel, D. C.; Drew, H. D. Rev. Sci. Instrum. 2010, 81, 083903
9. Grischkowsky, D.; Keiding, S.; Vanexter, M.; Fattinger, C. J. Opt. Soc. Am. B 1990, 7, 2006-2015
10. Derissen, J. L.; Smit, P. H. Acta Crystallogr. 1974, B30, 2240-2242
11. Iwasaki, F. F.; Saito, Y. Acta Crystallogr. 1967, 23, 56-63
12. Winchell, A. N. The Optical Properties of Organic Compounds, 2nd ed.; McCrone Research Institute: Chicago, IL, 1987.
13. Macrae, C. F.; Bruno, I. J.; Chisholm, J. A.; Edgington, P. R.; McCabe, P.; Pidcock, E.; Rodriguez-Monge, L.; Taylor, R.; van de Streek, J.; Wood, P. A. J. Appl. Crystallogr. 2008, 41, 466-470
14. King, M. D.; Korter, T. M. J. Phys. Chem. A 2010, 114, 7127-7138
15. Jepsen, P. U.; Clark, S. J. Chem. Phys. Lett. 2007, 442, 275-280
16. Kroll, J.; Darmo, J.; Unterrainer, K. Vibr. Spectrosc. 2007, 43, 324-329
17. Rungsawang, R.; Ueno, Y.; Tomita, I.; Ajito, K. Opt. Express 2006, 14, 5765-5772
18. Torgesen, J. L.; Strassburger, J. Science 1964, 146, 53-55
19. Sakai, K. Terahertz Optoelectronics; Springer: Heidelberg, Germany, 2005.
20. Walther, M.; Fischer, B. M.; Jepsen, P. U. Chem. Phys. Lett. 2003, 288, 261-268
21. Dovesi, R.; Orlando, R.; Civalleri, B.; Roetti, C.; Saunders, V. R.; Zicovich-Wilson, C. M. Z. Kristallogr. 2005, 220, 571-573
22. Dovesi, R.; Saunders, V. R.; Roetti, C.; Orlando, R.; Zicovich-Wilson, C. M.; Pascale, F.; Civalleri, B.; Doll, K.; Harrison, N. M.; Bush, I. J.; DArco, P.; Llunell, M. Crystal09 Users Manual; University of Torino: Torino, 2009.
23. Becke, A. D. J. Chem. Phys. 1993, 98, 1372-1377
24. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B: Condens. Matter 1988, 37, 785-789
25. Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650-654
26. Wang, Y.; Tsai, C. J.; Liu, W. L.; Calvert, L. D. Acta Crystallogr., Sect. B 1985, B41, 131-135
27. Hynes, R. C.; Le Page, Y. J. Appl. Crystallogr. 1991, 24, 352-354
28. Pascale, F.; Zicovich-Wilson, C. M.; Gejo, F. L.; Civalleri, B.; Orlando, R.; Dovesi, R. J. Comput. Chem. 2004, 25, 888-897
29. Zicovich-Wilson, C. M.; Pascale, F.; Roetti, C.; Saunders, V. R.; Orlando, R.; Dovesi, R. J. Comput. Chem. 2004, 25, 1873-1881
30. DallOlio, S.; Dovesi, R.; Resta, R. Phys. Rev. B: Condens. Matter 1997, 56, 10105-10114
31. Ferrero, M.; Rerat, M.; Kirtman, B.; Dovesi, R. J. Chem. Phys. 2008, 129, 244110/1-3
32. Ferrero, M.; Rerat, M.; Orlando, R.; Dovesi, R. J. Comput. Chem. 2008, 29, 1450-1459