Detailed assignment of the CH chromophores in methyl mandelate and mandelic acid: A multi-experimental approach using polarized FTIR microspectroscopy of sublimated crystals

Crystal Growth and Design

Volumn 12, Issue 4, 2012, Pages 1933-1942

  Nedić, Marija ^a   Suhm, Martin A ^a  

^a UNIVERSITY OF GÖTTINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ABSOLUTE ORIENTATION; ASSIGNMENT OF; ATTENUATED TOTAL REFLECTANCE; CRYSTAL ROTATIONS; FOURIER TRANSFORM INFRARED MICROSPECTROSCOPY; FT-IR SPECTRUM; FTIR MICROSPECTROSCOPY; ISOTOPE LABELING; MANDELIC ACID; POLARIZATION EXPERIMENTS; QUANTUM CHEMICAL CALCULATIONS; RELATED COMPOUNDS; VIBRATIONAL BANDS; VIBRATIONAL TRANSITIONS;

CHEMICAL COMPOUNDS; CHROMOPHORES; CRYSTAL ORIENTATION; ISOTOPES; QUANTUM CHEMISTRY;

FOURIER TRANSFORM INFRARED SPECTROSCOPY;

EID: 84859393308     PISSN: 15287483     EISSN: 15287505     Source Type: Journal    
DOI: 10.1021/cg201673r     Document Type: Article

References (30)

1. Glusker, J. P., Trueblood, K. N., Eds. Crystal Structure Analysis, 3 rd ed.; Oxford University Press: Oxford, 2010.
2. Nakamoto, K., Ed. Infrared and Raman Spectra of Inorganic and Coordination Compounds, Part A, 6 th ed.; Wiley: New York, 2009.
3. Bernstein, J. Cryst. Growth Des. 2011, 11, 632-650
4. Gavezzotti, A., Ed. Molecular Aggregation, 1 st ed.; Oxford University Press: Oxford, 2007.
5. Desiraju, G. R. CrystEngComm 2007, 9, 91-92
6. Sarma, B.; Roy, S.; Nangia, A. Chem. Commun. 2006, 4918-4920
7. Anderson, K. M.; Goeta, A. E.; Steed, J. W. Cryst. Growth Des. 2008, 8, 2517-2524
8. Zehnacker, A.; Suhm, M. A. Angew. Chem., Int. Ed. 2008, 47, 6970-6992
9. Albrecht, M.; Borba, A.; Le Barbu-Debus, K.; Dittrich, B.; Fausto, R.; Grimme, S.; Mahjoub, A.; Nedić, M.; Schmitt, U.; Schrader, L.; Suhm, M. A.; Zehnacker-Rentien, A.; Zischang, J. New J. Chem. 2010, 34, 1266-1285
10. Fletton, R. A.; Lancaster, R. W.; Harris, R. K.; Kenwright, A. M.; Packer, K. J.; Waters, D. N.; Yeadon, A. J. Chem. Soc. Perkin Trans. 2 1986, 1705-1709
11. Patil, A. O.; Pennington, W. T.; Paul, I. C.; Curtin, D. Y.; Dykstra, C. E. J. Am. Chem. Soc. 1987, 109, 1529-1535
12. Drozd, M.; Baran, J. Spectrochim. Acta Part A 2005, 61, 2953-2965
13. Teixeira, N. G.; Moreira, R. L.; Andreeta, M. R. B.; Hernandes, A. C.; Dias, A. Cryst. Growth Des. 2011, 11, 3472-3478
14. Flakus, H. T.; Hachuła, B. J. Phys. Chem. A 2011, 115, 12150-12160
15. Hoshina, H.; Morisawa, Y.; Sato, H.; Minamide, H.; Noda, I.; Ozaki, Y.; Otani, C. Phys. Chem. Chem. Phys. 2011, 13, 9173-9179
16. Rungsawang, R.; Ueno, Y.; Tomita, I.; Ajito, K. J. Phys. Chem. B 2006, 110, 21259-21263
17. Whitley, V. H.; Hooks, D. E.; Ramos, K. J.; O'Hara, J. F.; Azad, A. K.; Taylor, A. J.; Barber, J.; Averitt, R. D. Anal. Bioanal. Chem. 2009, 395, 315-322
18. Whitley, V. H.; Hooks, D. E.; Ramos, K. J.; Pierce, T. H.; O'Hara, J. F.; Azad, A. K.; Taylor, A. J.; Barber, J.; Averitt, R. D. J. Phys. Chem. A 2011, 115, 439-442
19. Zakharov, B. A.; Kolesov, B. A.; Boldyreva, E. V. Phys. Chem. Chem. Phys. 2011, 13, 13106-13116
20. Moreira, R. L.; Teixeira, N. G.; Andreeta, M. R. B.; Hernandes, A. C.; Dias, A. Cryst. Growth Des. 2010, 10, 1569-1573
21. Pimentel, G. C.; McClellan, A. L. J. Chem. Phys. 1952, 20, 270-277
22. Baran, J.; Ratajczak, H. Spectrochim. Acta Part A 2005, 61, 1611-1626
23. Basavaiah, D.; Krishna, P. R. Tetrahedron 1995, 51, 2403-2416
24. Tulashie, S. K.; von Langermann, J.; Lorenz, H.; Seidel-Morgenstern, A. Cryst. Growth Des. 2011, 11, 240-246
25. Frisch, M. J. Gaussian 03, Revisions B.04 and C.02; Gaussian, Inc.: Wallingford, CT, 2004.
26. Breuer, T.; Witte, G. Phys. Rev. B 2011, 83, 155428
27. Le Barbu-Debus, K.; Broquier, M.; Mahjoub, A.; Zehnacker-Rentien, A. J. Phys. Chem. A 2008, 112, 9731-9741
28. Mayo, D. W.; Miller, F. A.; Hannah, R. W. Course Notes on the Interpretation of Infrared and Raman Spectra; Wiley: New York, 2004.
29. Signorell, R. Mol. Phys. 2003, 101, 3385-3399
30. Tonner, R. ChemPhysChem 2010, 11, 1053-1061