LOGIN TO YOUR ACCOUNT

Username
Password
Remember Me
Or use your Academic/Social account:

CREATE AN ACCOUNT

Or use your Academic/Social account:

Congratulations!

You have just completed your registration at OpenAire.

Before you can login to the site, you will need to activate your account. An e-mail will be sent to you with the proper instructions.

Important!

Please note that this site is currently undergoing Beta testing.
Any new content you create is not guaranteed to be present to the final version of the site upon release.

Thank you for your patience,
OpenAire Dev Team.

Close This Message

CREATE AN ACCOUNT

Name:
Username:
Password:
Verify Password:
E-mail:
Verify E-mail:
*All Fields Are Required.
Please Verify You Are Human:
fbtwitterlinkedinvimeoflicker grey 14rssslideshare1
Domingos, Sérgio R.; Hartl, Frantisek; Buma, Wybren Jan; Woutersen, Sander (2015)
Publisher: Wiley
Languages: English
Types: Article
Subjects:
Recent experimental observations of enhanced vibrational circular dichroism (VCD) in molecular systems with low-lying electronically excited states suggest interesting new applications of VCD spectroscopy. The theory describing VCD enhancement through vibronic coupling schemes was derived by Nafie in 1983, but only recently experimental evidence of VCD amplification has demonstrated the extent to which this effect can be\ud exploited as a structure elucidation tool to probe local structure. In this Concept paper, we give an overview of the physics behind vibrational circular dichroism, in particular the equations governing the VCD amplification effect, and review the latest experimental developments with a prospective view on the application of amplified VCD to locally probe biomolecular structure.
  • The results below are discovered through our pilot algorithms. Let us know how we are doing!

    • [1] L. A. Nafie, Vibrational Optical Activity: Principles and Applications, Wiley, Chichester, 2011.
    • [2] P. J. Stephens, F. J. Devlin, J. R. Cheeseman, VCD Spectroscopy for Organic Chemists, CRC Press, Taylor & Francis Group, Boca Raton, FL, 2012.
    • [3] L. A. Nafie, T. A. Keiderling, P. J. Stephens, J. Am. Chem. Soc. 1976, 98, 2715 - 2723.
    • [4] M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, . Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian 09, Revision C.02, 2009, Gaussian, Inc., Wallingford, CT.
    • [5] A. Theoretical Chemistry, Vrije Universiteit, Amsterdam Density Functional program, URL: http://www.scm.com.
    • [6] R. P. Feynman, R. B. Leighton, M. Sands, The Feynman Lectures on Physics, AddisonWesley, Reading, 1963.
    • [7] I. Tinoco, M. P. Freeman, J. Chem. Phys. 1957, 61, 1196 - 1200.
    • [8] P. Atkins, R. Friedman, Molecular Quantum Mechanics, Oxford University Press, Oxford, 2005.
    • [9] T. R. Faulkner, C. Marcott, A. Moscowitz, J. Overend, J. Am. Chem. Soc. 1977, 99, 8160 - 8168.
    • [10] L. A. Nafie, T. B. Freedman, J. Chem. Phys. 1983, 78, 7108.
    • [11] P. J. Stephens, J. Phys. Chem. 1985, 89, 748 - 752.
    • [12] L. A. Nafie, J. Phys. Chem. A 2004, 108, 7222 - 7231.
    • [13] C. Barnett, A. Drake, R. Kuroda, S. Mason, S. Savage, Chem. Phys. Lett. 1980, 70, 8 - 10.
    • [14] U. Fano, Phys. Rev. 1961, 124, 1866 - 1878.
    • [15] R. W. Bormett, S. A. Asher, P. J. Larkin, W. G. Gustafson, N. Ragunathan, T. B. Freedman, L. A. Nafie, S. Balasubramanian, S. G. Boxer, N. T. YU, K. Gersonde, R. W. Noble, B. A. Springer, S. G. Sligar, J. Am. Chem. Soc. 1992, 114, 6864 - 6867.
    • [16] R. W. Bormett, G. D. Smith, S. A. Asher, D. Barrick, D. M. Kurtz, Faraday Discuss. 1994, 99, 327.
    • [17] Y. He, X. Cao, L. A. Nafie, T. B. Freedman, J. Am. Chem. Soc. 2001, 123, 11320 - 11321.
    • [18] C. Johannessen, P. W. Thulstrup, Dalton Trans. 2007, 10, 1028 - 1033.
    • [19] H. Sato, T. Taniguchi, A. Nakahashi, K. Monde, A. Yamagishi, Inorg. Chem. 2007, 46, 6755 - 6766.
    • [20] C. Merten, K. Hiller, Y. Xu, Phys. Chem. Chem. Phys. 2012, 14, 12884 - 12891.
    • [21] M. Krejcˇik, M. Daneˇk, F. Hartl, J. Electroanal. Chem. 1991, 317, 179 - 187.
    • [22] S. R. Domingos, H. Luyten, F. van Anrooij, H. J. Sanders, B. H. Bakker, W. J. Buma, F. Hartl, S. Woutersen, Rev. Sci. Instrum. 2013, 84, 033103.
    • [23] S. R. Domingos, M. R. Panman, B. H. Bakker, F. Hartl, W. J. Buma, S. Woutersen, Chem. Commun. 2012, 48, 353 - 355.
    • [24] S. R. Domingos, A. Huerta-Viga, L. Baij, S. Amirjalayer, D. A. E. Dunnebier, A. J. C. Walters, M. Finger, L. A. Nafie, B. de Bruin, W. J. Buma, S. Woutersen, J. Am. Chem. Soc. 2014, 136, 3530 - 3535.
    • [25] S. R. Domingos, H. J. Sanders, F. Hartl, W. J. Buma, S. Woutersen, Angew. Chem. Int. Ed. 2014, 53, 14042 - 14045; Angew. Chem. 2014, 126, 14266 - 14269.
  • No related research data.
  • No similar publications.
  • BioEntity Site Name
    1a3lProtein Data Bank

Share - Bookmark

Funded by projects

  • EC | MMPF
  • FCT | SFRH/BD/48295/2008

Cite this article