Intermolecular dynamics in crystalline iron octaethylporphyrin (FeOEP)

Journal of Physical Chemistry B

Volumn 112, Issue 40, 2008, Pages 12656-12661

  Starovoitova, Valeriia ^a,d   Wyllie, Graeme R A ^b,e   Scheldt, W Robert ^b   Sturhahn, Wolfgang ^c   Alp, E Ercan ^c   Durbin, Stephen M ^a  

^a PURDUE UNIVERSITY   (United States)

^b UNIVERSITY OF NOTRE DAME   (United States)

^c ARGONNE NATIONAL LABORATORY   (United States)

^d Nucl Eng Idaho State University   (United States)

^e Department of Chemistry Concordia College ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CHEMICAL SENSORS; CRYSTALLINE MATERIALS; INFRARED SPECTROSCOPY; IRON ANALYSIS; POLYCRYSTALLINE MATERIALS; PORPHYRINS; SPECTROSCOPIC ANALYSIS;

CRYSTAL MODELS; CRYSTALLINE SYMMETRIES; DIAGONAL FORCE CONSTANTS; DYNAMICAL DATUM; FORCE CONSTANTS; FREE PARAMETERS; HEME COMPOUNDS; INTERMOLECULAR COUPLINGS; INTERMOLECULAR DYNAMICS; INTERMOLECULAR FORCES; INTERMOLECULAR INTERACTIONS; IRON OCTAETHYLPORPHYRIN; LOWER FREQUENCIES; MODE ANALYSIS; NEW TECHNIQUES; NORMAL MODES; NUCLEAR RESONANCE VIBRATIONAL SPECTROSCOPIES; PHONON DISPERSION CURVES; SINGLE MOLECULES; SOUND VELOCITIES;

MOLECULES;

EID: 54549123373     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp806215r     Document Type: Article

References (34)

1. Kitagawa, T.; Abe, M.; Ogoshi, H. J. Chem. Phys. 1978, 69, 4516.
2. Resonance Raman Spectra of Heme and Metalloproteins; Spiro, T. G., Ed.; Wiley-Interscience: New York, 1988; Vol. 2.
3. Kincaid, J. R.; Urban, M. W.; Watanabe, T.; Nakamoto, K. J. Phys. Chem. 1983, 87, 3096.
4. Rai, B. K.; Durbin, S. M.; Prohofsky, E. W.; Sage, J. T.; Wyllie, G. R. A.; Scheldt, W. R.; Sturhahn, W.; Alp, E. E. Biophys. J. 2002, 82, 2951.
5. Rai, B. K.; Durbin, S. M.; Prohofsky, E. W.; Sage, J. T.; Ellison, M. K.; Roth, A.; Scheidt, W. R.; Sturhahn, W.; Alp, E. E. J. Am. Chem. Soc. 2003, 125, 6927.
6. Kozlowski, P. M.; Spiro, T. G.; Berces, A.; Zgierski, M. Z. J. Phys. Chem. B 1998, 102, 2603.
7. Jonas, V.; Thiel, W. J. Chem. Phys. 1995, 102, 8474.
8. Trautwein, A. X.; Wegner, P.; Winkler, H.; Paulsen, H.; Schunemann, V.; Schmidt, C.; Chumakov, A. I.; Ruffer, R. Hyperfine Interact. 2005, 165, 295.
9. Paulsen, H.; Wegner, P.; Winkler, H.; Wolny, J. A.; Bottger, L. H.; Trautwein, A. X.; Schmidt, C.; Schunemann, V.; Barone, G.; Silvestri, A.; La Manna, G.; Chumakov, A. I.; Sergueev, I.; Ruffer, R. Hyperfine Interact. 2005, 165, 17.
10. Ronayne, K. L.; Paulsen, H.; Hofer, A.; Dennis, A. C.; Wolny, J. A.; Chumakov, A. I.; Schunemann, V.; Winkler, H.; Spiering, H.; Bousseksou, A.; Gutlich, P.; Trautwein, A. X.; McGarvey, J. J. Phys. Chem. Chem. Phys. 2006, 8, 4685.
11. Sturhahn, W.; Toellner, T. S.; Alp, E. E.; Zhang, X.; Ando, M.; Yoda, Y.; Kikuta, S.; Seto, M.; Kimball, C. W.; Dabrowski, B. Phys. Rev. Lett. 1995, 74, 3832.
12. Scheidt, W. R.; Durbin, S. M.; Sage, J. T. J. Inorg. Biochem. 2005, 99, 60.
13. Sturhahn, W. J. Phys.-Condens. Matter 2004, 16, S497.
14. Paulsen, H.; Winkler, H.; Trautwein, A. X.; Grunsteudel, H.; Rusanov, V.; Toftlund, H. Phys. Rev. B 1999, 59, 975.
15. Chumakov, A. I.; Ruffer, R.; Leupold, O.; Sergueev, I. Struct. Chem. 2003, 14, 109.
16. Scheidt, W. R.; Durbin, S. M.; Sage, J. T. Nuclear Resonance Vibrational Spectroscopy - NRVS. In The Smallest Biomolecules: Diatomics and their Interactions with Heme Proteins; Ghosh, A., Ed.; Elsevier: Amsterdam, 2008; pp 124.
17. Budarz, T. E.; Prohofsky, E. W.; Durbin, S. M.; Sjodin, T.; Sage, J. T.; Sturhahn, W.; Alp, E. E. J. Phys. Chem. B 2003, 107, 11170.
18. Rai, B. K.; Durbin, S. M.; Prohofsky, E. W.; Sage, J. T.; Wyllie, G. R. A.; Scheidt, W. R.; Sturhahn, W.; Alp, E. E. Biophys. J. 2002, 82, 2951.
19. Rai, B. K.; Durbin, S. M.; Prohofsky, E. W.; Sage, J. T.; Ellison, M. K.; Scheidt, W. R.; Sturhahn, W.; Alp, E. E. Phys. Rev. E 2002, 66.
20. Leu, B. M.; Silvernail, N. J.; Zgierski, M. Z.; Wyllie, G. R. A.; Ellison, M. K.; Scheidt, W. R.; Zhao, J. Y.; Sturhahn, W.; Alp, E. E.; Sage, J. T. Biophys. J. 2007, 92, 3764.
21. Silvernail, N. J.; Barabanschikov, A.; Pavlik, J. W.; Noll, B. C.; Zhao, J. Y.; Alp, E. E.; Sturhahn, W.; Sage, J. T.; Scheidt, W. R. J. Am. Chem. Soc. 2007, 129, 2200.
22. Starovoitova, V.; Budarz, T. E.; Wyllie, G. R. A.; Scheidt, W. R.; Sturhahn, W.; Alp, E. E.; Prohofsky, E. W.; Durbin, S. M. J. Phys. Chem. B 2006, 110, 13277.
23. Ghosh, A.; Bocian, D. F. J. Phys. Chem. 1996, 100, 6363.
24. Johnson, M. R.; Trommsdorff, H. P. Chem. Phys. Lett. 2002, 364, 34.
25. Plazanet, M.; Beraud, A.; Johnson, M.; Krisch, M.; Trommsdorff, H. P. Chem. Phys. 2005, 317, 153.
26. Kearley, G. J.; Johnson, M. R.; Tomkinson, J. J. Chem. Phys. 2006, 124, 044514.
27. Kohn, V. G.; Chumakov, A. I.; Ruffer, R. Phys. Rev. B 2006, 73, 094306.
28. Meinhold, L.; Merzel, F.; Smith, J. C. Phys. Rev. Lett. 2007, 99, 138101.
29. Strauss, S. H.; Silver, M. E.; Long, K. M.; Thompson, R. G.; Hudgens, R. A.; Spartalian, K.; Ibers, J. A. J. Am. Chem. Soc. 1985, 107, 4207.
30. Califano, S. Vibrational States; Wiley: New York, 1976.
31. Sturhahn, W. Hyperfine Interact. 2000, 125, 149.
32. Achterhold, K.; Keppler, C.; Ostermann, A.; van Bürck, U.; Sturhahn, W.; Alp, E. E.; Parak, F. G. Phys. Rev. E 2002, 65, 051916.
33. Hu, M. Y.; Sturhahn, W.; Toellner, T. S.; Mannheim, P. D.; Brown, D. E.; Zhao, J. Y.; Alp, E. E. Phys. Rev. B 2003, 67, 094304.
34. Edwards, C.; Palmer, S. B.; Emsley, P.; Helliwell, J. R.; Glover, I. D.; Harris, G. W.; Moss, D. S. Acta Crystallogr., Sect. A 1990, 46, 315.