Mechanism of thermal reversal of the (fulvalene)tetracarbonyldiruthenium Photoisomerization: Toward molecular solar-thermal energy storage

Angewandte Chemie - International Edition

Volumn 49, Issue 47, 2010, Pages 8926-8929

  Kanai, Yosuke ^c   Srinivasan, Varadharajan ^b   Meier, Steven K ^a   Vollhardt, K Peter C ^a   Grossman, Jeffrey C ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b Massachusetts Institute of Technology Cambridge   (United States)

^c LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

ab initio calculations; C C activation; isomerization; photochemistry; ruthenium

Indexed keywords

AB INITIO CALCULATIONS; C-C ACTIVATIONS; COMPLEX 1; CYCLOPENTADIENYL COMPLEXES; DIRADICALS; ENERGY VALUE; EXPERIMENTAL DATA; PHOTOCHEMISTRY; SATURATION KINETICS; TRANSITION STATE;

CALCULATIONS; HEAT STORAGE; ISOMERIZATION; ISOMERS; RUTHENIUM;

SOLAR ENERGY;

EID: 78449259631     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201002994     Document Type: Article

References (59)

1. For some illustrative reviews, see
2. Acc. Chem. Res. Special Issue: Artificial Photosynthesis and Solar Fuels, 2009, 42, 1861-2029
3. A. Carroll, C. Somerville, Annu. Rev. Plant Biol. 2009, 60, 165 - 182
4. V. Balzani, A. Credi, M. Venturi, ChemSusChem 2008, 1, 26 - 58
5. V. S. Arunachalam, E. S. Fleischer, MRS Bull. 2008, 33, 265 - 275
6. N. Lewis, D. G. Nocera, Proc. Natl. Acad. Sci. USA 2006, 103, 15729 - 15735.
7. See, inter alia
8. L. Schnatbaum, Eur. Phys. J. Special Topics 2009, 176, 127- 140
9. M. Kenisarin, K. Mahkamov, Renewable Sustainable Energy Rev. 2007, 11, 1913 - 1965.
10. For a review of the problems of energy storage, see: H. Chen, T. N. Cong, W. Yang, C. Tan, Y. Li, Y. Ding, Prog. Nat. Sci. 2009, 19, 291 - 312.
11. For recent work, see
12. J.-J. Zou, Y. Liu, L. Pan, L. Wang, X. Zhang, Appl. Catal. B 2010, 95, 439 - 445
13. E. Vesally, Russ. J. Phys. Chem. A 2009, 83, 809 - 812, and references therein.
14. For selected general reviews, see
15. V. Balzani, A. Credi, M. Venturi, Chem. Soc. Rev. 2009, 38, 1542 - 1550
16. E. R. Kay, D. A. Leigh, F. Zerbetto, Angew. Chem. 2007, 119, 72 - 196
17. Angew. Chem. Int. Ed. 2007, 46, 72 - 191
18. Photochromism, Molecules and Systems (Eds.:, H. Dürr, H. Bouas-Laurent,), Elsevier, Amsterdam, 2003.
19. For a recent review, see
20. M.-S. Wang, G. Xu, Z.-J. Zhang, G.-C. Guo, Chem. Commun. 2010, 46, 361 - 376; for some recent examples, see
21. B. A. McClure, E. R. Abrams, J. J. Rack, J. Am. Chem. Soc. 2010, 132, 5428 - 5436
22. T. A. Albright, P. I. Dosa, T. N. Grossmann, V. N. Khrustalev, O. A. Oloba, R. Padilla, R. Paubelle, A. Stanger, T. V. Timofeeva, K. P. C. Vollhardt, Angew. Chem. 2009, 121, 10037 - 10041
23. Angew. Chem. Int. Ed. 2009, 48, 9853 - 9857
24. A. Ben-Asuly, A. Aharoni, C. E. Diesendruck, Y. Vidavsky, I. Goldberg, B. F. Straub, N. G. Lemcoff, Organometallics 2009, 28, 4652 - 4655
25. G. Zhu, K. Pang, G. Parkin, J. Am. Chem. Soc. 2008, 130, 1564 - 1565
26. K. Tsuchiya, K. Ideta, K. Mogi, Y. Sunada, H. Nagashima, Dalton Trans. 2008, 2708 - 2716
27. H. Nakai, T. Nonaka, Y. Miyano, M. Mizuno, Y. Ozawa, K. Toriumi, N. Koga, T. Nishioka, M. Irie, K. Isobe, J. Am. Chem. Soc. 2008, 130, 17836 - 17845
28. S. Miyazaki, T. Kojima, S. Fukuzumi, J. Am. Chem. Soc. 2008, 130, 1556 - 1557
29. H. C. Jahr, M. Nieger, K. H. Dötz, Chem. Eur. J. 2005, 11, 5333 - 5342.
30. R. Boese, J. K. Cammack, A. J. Matzger, K. Pflug, W. B. Tolman, K. P. C. Vollhardt, T. W. Weidman, J. Am. Chem. Soc. 1997, 119, 6757 - 6773
31. -1 for the thermal reverse reaction (2 → 1) was overestimated due to an error in integration of the differential scanning calorimetry (DSC) curve. The new measurement is based on an average of six runs (TA Instruments DSC 2920 and Q20).
32. J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865 - 3868.
33. D. Vanderbilt, Phys. Rev. B 1990, 41, 7892 - 7895.
34. E. Weinan, W. Ren, E. Vanden-Eijnden, Phys. Rev. B 2002, 66, 052301.
35. Y. Kanai, A. Tilocca, A. Selloni, R. Car, J. Chem. Phys. 2004, 121, 3359 - 3367
36. R. Car, M. Parrinello, Phys. Rev. Lett. 1985, 55, 2471 - 2474.
37. -1) of some of the experimental values with those computed by DFT calculations is fortuitous, albeit gratifying
38. -1, respectively.
39. W. E. Geiger, A. Salzer, J. Edwin, W. von Philipsborn, U. Piantini, A. L. Rheingold, J. Am. Chem. Soc. 1990, 112, 7113 - 7121.
40. NIST Chemistry WebBook; see also
41. K. Elihn, K. Larsson, Thin Solid Films 2004, 458, 325 - 329.
42. -1
43. -1.
44. P. Hamon, L. Toupet, J.-R. Hamon, C. Lapinte, Organometallics 1996, 15, 10 - 12; see also
45. K. Costuas, J.-Y. Saillard, Organometallics 1999, 18, 2505 - 2512.
46. See, e.g.:, X. Z. Sun, S. M. Nikiforov, A. Dedieu, M. W. George, Organometallics 2001, 20, 1515 - 1520.
47. -1 T. T. Chin, W. E. Geiger, A. L. Rheingold, J. Am. Chem. Soc. 1996, 118, 5002 - 5010.
48. S.-Z. Hu, Z.-H. Zhou, B. E. Robertson, Z. Kristallogr. 2009, 224, 375 - 383.
49. See also remarks by:, T. E. Bitterwolf, J. E. Shade, J. A. Hansen, A. L. Rheingold, J. Organomet. Chem. 1996, 514, 13 - 21, specifically p. 18.
50. K. P. C. Vollhardt, B. Zhu, O. A. Miljanć, M. J. West, Synthesis 2005, 3373 - 3379 and unpublished results.
51. A. R. Cutler, M. Rosenblum, J. Organomet. Chem. 1976, 120, 87 - 96; FvM - M bond strengths appear to be comparable to, if not stronger, than those of their CpM - MCp analogues. See
52. K. P. C. Vollhardt, J. K. Cammack, A. J. Matzger, A. Bauer, K. B. Capps, C. D. Hoff, Inorg. Chem. 1999, 38, 2624 - 2631.
53. -1 (MPW1PW91):, B. Xu, Q.-S. Li, Y. Xie, R. B. King, H. F. Schaefer III, Organometallics 2008, 27, 5921 - 5928.
54. See, inter alia
55. M. González-Maupoey, V. Tebernero, T. Cuenca, Coord. Chem. Rev. 2009, 253, 1854 - 1881
56. H. Sun, Q. Liu, J. Gu, C. Zhang, Z. Zhang, Q. Wang, Organometallics 2008, 27, 4505 - 4512, and references therein
57. D. Chen, J. Guo, S. Xu, H. Song, B. Wang, Organometallics 2007, 26, 4212 - 4219, and references therein
58. M. Berry, N. J. Cooper, M. L. H. Green, S. J. Simpson, J. Chem. Soc. Dalton Trans. 1980, 29 - 40.
59. K. P. C. Vollhardt, R. A. Segalman, A. Majumdar, S. Meier, PCT Int. Appl. WO 2010009052 A2 2010,[Chem. Abstr. 2010, 152, 196421].