Spectroscopic characterization of solvent-mediated folding in dicarboxylate dianions

Angewandte Chemie - International Edition

Volumn 50, Issue 16, 2011, Pages 3807-3810

  Wende, Torsten ^a   Wanko, Marius ^b   Jiang, Ling ^a   Meijer, Gerard ^a   Asmis, Knut R ^a   Rubio, Angel ^b  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

Carboxylic acids; Hydrates; IR spectroscopy; Molecular dynamics; Solvent effects

Indexed keywords

CHARGE DISPLACEMENT; CONFORMATIONAL CHANGE; DIANIONS; FOLDED STRUCTURES; IR SPECTROSCOPY; SOLVENT EFFECTS; SPECTROSCOPIC CHARACTERISTICS; SPECTROSCOPIC CHARACTERIZATION; SYMMETRIC STRETCHING; WATER CLUSTER;

CARBOXYLATION; CARBOXYLIC ACIDS; HYDRATES; HYDRATION; HYDROGEN BONDS; SOLVENTS;

MOLECULAR DYNAMICS;

ANION; DICARBOXYLIC ACID; SOLVENT; WATER;

ARTICLE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; MOLECULAR DYNAMICS; THERMODYNAMICS;

ANIONS; DICARBOXYLIC ACIDS; MOLECULAR DYNAMICS SIMULATION; SOLVENTS; SPECTROPHOTOMETRY, INFRARED; THERMODYNAMICS; WATER;

EID: 79953728459     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201006485     Document Type: Article

References (23)

1. M. Gielen, Coord. Chem. Rev. 1996, 151, 41-51.
2. C. N. R. Rao, S. Natarajan, R. Vaidhyanathan, Angew. Chem. 2004, 116, 1490 - 1521;
3. Angew. Chem. Int. Ed. 2004, 43, 1466-1496.
4. D. Grosjean, K. Vancauwenberghe, J. P. Schmid, P. E. Kelley, J. N. Pitts, Environ. Sci. Technol. 1978, 12, 313-317.
5. L. S. Wang, C. F. Ding, X. B. Wang, J. B. Nicholas, B. Nicholas, Phys. Rev. Lett. 1998, 81, 2667-2670.
6. X. B. Wang, L. S. Wang, Annu. Rev. Phys. Chem. 2009, 60, 105-126.
7. X. Yang, Y. J. Fu, X. B. Wang, P. Slavicek, M. Mucha, P. Jungwirth, L. S. Wang, J. Am. Chem. Soc. 2004, 126, 876-883.
8. M. A. Duncan, Int. J. Mass Spectrom. 2000, 200, 545-569.
9. B. Minofar, M. Mucha, P. Jungwirth, X. Yang, Y. J. Fu, X. B. Wang, L. S. Wang, J. Am. Chem. Soc. 2004, 126, 11691-11698.
10. X. B. Wang, J. Yang, L. S. Wang, J. Phys. Chem. A 2008, 112, 172-175.
11. J. M. Weber, J. A. Kelley, S. B. Nielsen, P. Ayotte, M. A. Johnson, Science 2000, 287, 2461-2463.
12. J. Zhou, G. Santambrogio, M. Brummer, D. T. Moore, G. Meijer, D. M. Neumark, K. R. Asmis, J. Chem. Phys. 2006, 125, 111102.
13. M. F. Bush, R. J. Saykally, E. R. Williams, J. Am. Chem. Soc. 2007, 129, 2220-2221.
14. D. J. Goebbert, T.Wende, R. Bergmann, G. Meijer, K. R. Asmis, J. Phys. Chem. A 2009, 113, 5874-5880.
15. S. E. Cabaniss, J. A. Leenheer, I. F. McVey, Spectrochim. Acta Part A 1998, 54, 449-458.
16. J. Oomens, A. G. G. M. Tielens, B. Sartakov, G. von Helden, G. Meijer, Astrophys. J. 2003, 591, 968-985.
17. D. J. Goebbert, G. Meijer, K. R. Asmis, AIP Conf. Proc. 2009, 1104, 22-29.
18. D. J. Goebbert, E. Garand, T. Wende, R. Bergmann, G. Meijer, K. R. Asmis, D. M. Neumark, J. Phys. Chem. A 2009, 113, 7584-7592.
19. D. Oepts, A. F. G. van der Meer, P. W. van Amersfoort, Infrared Phys. Technol. 1995, 36, 297-308.
20. A. D. MacKerell, D. Bashford, M. Bellott, R. L. Dunbrack, J. D. Evanseck, M. J. Field, S. Fischer, J. Gao, H. Guo, S. Ha, D. Joseph-McCarthy, L. Kuchnir, K. Kuczera, F. T. K. Lau, C. Mattos, S. Michnick, T. Ngo, D. T. Nguyen, B. Prodhom, W. E. Reiher Iii, B. Roux, M. Schlenkrich, J. C. Smith, R. Stote, J. Straub, M. Watanabe, J. Wiorkiewicz-Kuczera, D. Yin, M. Karplus, J. Phys. Chem. B 1998, 102, 3586-3616.
21. M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai, G. Seifert, Phys. Rev. B 1998, 58, 7260-7268.
22. TURBOMOLE V6.1 - A development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, available from http://www. turbomole.com, TURBOMOLE GmbH, 2009.
23. ORCA - An Ab Initio, DFT and Semiempirical electronic structure package, Version 2.7-Revision 0, Universität Bonn, F. Neese, 2009.