Experimental and calculated vibrational and electronic circular dichroism spectra of 2-Br-hexahelicene

Physical Chemistry Chemical Physics

Volumn 11, Issue 40, 2009, Pages 9039-9043

  Abbate, Sergio ^a,b   Lebon, France ^a,b   Longhi, Giovanna ^a,b   Fontana, Francesca ^c   Caronna, Tullio ^c   Lightner, David A ^d  

^a UNIVERSITY OF BRESCIA   (Italy)

^b CNISM   (Italy)

^c UNIVERSITY OF BERGAMO   (Italy)

^d UNIVERSITY OF NEVADA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HELICENES; POLYCYCLIC HYDROCARBON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CIRCULAR DICHROISM; CONFORMATION; ELECTRON; INFRARED SPECTROPHOTOMETRY; QUANTUM THEORY; VIBRATION;

CIRCULAR DICHROISM; ELECTRONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; POLYCYCLIC COMPOUNDS; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; VIBRATION;

EID: 70350007735     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b909991c     Document Type: Article

References (29)

1. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, C. Gonzalez and J. A. Pople, GAUSSIAN 03 (Revision B.5), Gaussian, Inc., Wallingford, CT, 2004
2. F. Lebon G. Longhi F. Gangemi S. Abbate J. Priess M. Juza C. Bazzini T. Caronna A. Mele J. Phys. Chem. A 2004 108 11752 11761
3. Conjugated polymeric materials: opportunities in electronics, optoelectronics, and molecular electronics, ed., J. L. Brédas, and, R. R. Chance, Proceedings of the NATO School in Mons (Belgium), NATO ASI Ser. E, Kluwer, London, 1989
4. D. A. Lightner D. T. Hefelfinger G. W. Frank T. W. Powers K. N. Trueblood Nature 1971 233 124
5. D. A. Lightner D. T. Hefelfinger G. W. Frank T. W. Powers Trueblood J. Am. Chem. Soc. 1972 94 3492 3497
6. A. Moscowitz, On Optical Activity - Hexahelicene, PhD Thesis, Harvard University, Cambridge, MA, 1957
7. A. Moscowitz, Theoretical Aspects of Optical Activity. Part One: Small Molecules in Adv. Chem. Phys., ed., I. Prigogine, J. Wiley & Sons, New York, 1962, vol. IV, pp. 67-112
8. A. E. Hansen K. L. Bak Enantiomer 1999 4 455 476
9. E. Furche R. Ahlrichs C. Wachsmann E. Weber A. Sobank F. Vogtle S. Grimme J. Am. Chem. Soc. 2000 122 1717 1724
10. T. D. Crawford Theor. Chem. Acc. 2006 115 227 245
11. E. Botek B. Champagne J. Chem. Phys. 2007 127 204101
12. S. Graule M. Rudolph N. Vanthuyne J. Autschbach C. Roussel J. Crassous R. Reau J. Am. Chem. Soc. 2009 131 3183 3185
13. V. P. Nicu J. Neugebauer S. K. Wollf E. J. Baerends Theor. Chem. Acc. 2008 119 245 263
14. J. Cz. Dobrowolski J. Mol. Struct. 2003 651-653 609 614
15. V. Liégeois B. Champagne J. Comput. Chem. 2009 30 1261 1278
16. T. B. Freedman X. Cao A. Rajca H. Wang L. A. Nafie J. Phys. Chem. A 2003 107 7692 7696
17. C. Herse D. Bas F. C. Krebs T. Bürgi J. Weber T. Wesolowski B. W. Laursen J. Lacour Angew. Chem. 2003 115 3270 3274
18. T. Buffeteau L. Ducasse L. Poniman N. Delsuc I. Huc Chem. Commun. 2006 2714 2716
19. T. Bürgi A. Urakawa B. Behzadi K.-H. Ernst A. Baiker New J. Chem. 2004 28 332 334
20. C. Kittel, Introduction to Solid State Physics, 8th edn, 2004, J. Wiley, NY
21. L. Piseri G. Zerbi Dispersion Curves and Frequency Distribution of Polymers: Single Chain model J. Chem. Phys. 1968 48 3561
22. G. Zerbi, Molecular Dynamics and Vibrational Spectra of Polymers in Vibrational Spectroscopy - Modern Trends, ed., A. J. Barnes, and, W. J. Orville-Thomas, Elsevier, NY, 1977, ch. 24, pp. 379-403
23. L. A. Nafie, Long-Range Structural Chirality: Enhanced VCD as a Probe of Protein fibrils Assemblies and as a Tool in the Search for Negative Refractive Index in Chiral Materials, Lecture L8, 2008, ISCD-20, Geneva, Switzerland
24. J. B. Pendry Science 2004 306 1353 1355
25. S. Ma X. Cao M. Mak A. Sadik C. Walkner T. B. Freedman I. K. Lednev R. K. Dukor L. A. Nafie J. Am. Chem. Soc. 2007 129 12364 12365
26. S. Abbate C. Bazzini T. Caronna F. Fontana C. Gambarotti F. Gangemi G. Longhi A. Mele I. Natali Sora W. Panzeri Tetrahedron 2006 62 1 139 148
27. A. H. A. Tinnemans W. H. Laarhoven J. Chem. Soc., Perkin Trans. 2 1976 1104
28. W. J. C. Prinsen C. A. J. Hajie W. H. Laarhoven Polycyclic Aromat. Compd. 1990 1 21
29. J. Misek F. Teply I. G. Stara M. Tichy D. Saman I. Csarova P. Vojtisek I. Stary Angew. Chem., Int. Ed. 2008 47 3188 3191