Experimental and computational insights into carbon dioxide fixation by RZnOH species

Chemistry - A European Journal

Volumn 21, Issue 14, 2015, Pages 5496-5503

  Sokołowski, Kamil ^a   Bury, Wojciech ^b   Tulewicz, Adam ^b,c   Cies̈lak, Anna M ^a   Justyniak, Iwona ^a   Kubicki, Dominik ^b   Krajewska, Elzbieta ^b   Milet, Anne ^d   Moszyński, Robert ^c   Lewiński, Janusz ^a,b  

^a INSTITUTE OF PHYSICAL CHEMISTRY   (Poland)

^b WARSAW UNIVERSITY OF TECHNOLOGY   (Poland)

^c UNIVERSITY OF WARSAW   (Poland)

^d UNIVERSITÉ JOSEPH FOURIER   (France)

Author keywords

carbon dioxide fixation; computational chemistry; density functional calculations; reaction mechanisms; zinc; zinc hydroxide

Indexed keywords

CARBON; COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; HYDROGEN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANOMETALLICS; PROTONS; SYNTHESIS (CHEMICAL); ZINC;

CARBON DIOXIDE FIXATION; COMPUTATIONAL INVESTIGATION; H NMR SPECTROSCOPY; MULTISTEP REACTIONS; ORGANOMETALLIC PRECURSORS; RATE DETERMINING STEP; REACTION MECHANISM; ZINC HYDROXIDE;

CARBON DIOXIDE;

EID: 84925168562     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201406271     Document Type: Article

References (71)

1. Carbon Dioxide as Chemical Feedstock (Ed.:, M. Aresta,), Wiley-VCH, Weinheim, 2010
2. G. A. Olah, G. K. S. Prakash, A. Goeppert, J. Am. Chem. Soc. 2011, 133, 12881-12898
3. M. Cokoja, C. Bruckmeier, B. Rieger, W. A. Herrmann, F. E. Kühn, Angew. Chem. Int. Ed. 2011, 50, 8510-8537
4. Angew. Chem. 2011, 123, 8662-8690
5. M. Mikkelsen, M. Jørgensen, F. C. Krebs, Energy Environ. Sci. 2010, 3, 43-81
6. T. Sakakura, J. C. Choi, H. Yasuda, Chem. Rev. 2007, 107, 2365-2387
7. D. J. Darensbourg, Chem. Rev. 2007, 107, 2388-2410
8. G. W. Coates, D. R. Moore, Angew. Chem. Int. Ed. 2004, 43, 6618-6639
9. Angew. Chem. 2004, 116, 6784-6806
10. M. Dupuis, J. G. Ferry, E. Fujita, R. Hille, P. J. A. Kenis, C. A. Kerfeld, R. H. Morris, C. H. F. Peden, A. R. Portis, S. W. Ragsdale, T. B. Rauchfuss, J. N. H. Reek, L. C. Seefeldt, R. K. Thauer, G. L. Waldrop, Chem. Rev. 2013, 113, 6621-6658.
11. S. I. Swamy, J. Bacsa, J. T. A. Jones, K. C. Stylianou, A. Steiner, L. K. K. Ritchie, T. Hasell, J. A. Gould, A. Laybourn, Y. Z. Khimyak, D. J. Adams, M. J. Rosseinsky, A. I. Cooper, J. Am. Chem. Soc. 2010, 132, 12773-12775
12. S.-D. Bian, J.-H. Jia, Q.-M. Wang, J. Am. Chem. Soc. 2009, 131, 3422-3423
13. D. Sun, G.-G. Luo, N. Zhang, R.-B. Huang, L.-S. Zheng, Chem. Commun. 2011, 47, 1461-1463
14. B. Zhang, X. Zheng, H. Su, Y. Zhu, C. Du, M. Song, Dalton Trans. 2013, 42, 8571-8574
15. R. McLellan, J. Rezé, S. M. Taylor, R. D. McIntosh, E. K. Brechin, S. J. Dalgarno, Chem. Commun. 2014, 50, 2202-2204
16. T. N. Hooper, R. Inglis, M. A. Palacios, G. S. Nichol, M. B. Pitak, S. J. Coles, G. Lorusso, M. Evangelisti, E. K. Brechin, Chem. Commun. 2014, 50, 3498-3500.
17. V. M. Krishnamurthy, G. K. Kaufman, A. R. Urbach, I. Gitlin, K. L. Gudiksen, D. B. Weibel, G. M. Whitesides, Chem. Rev. 2008, 108, 946-1051
18. H. Vahrenkamp, Dalton Trans. 2007, 4751-4759
19. G. Parkin, Chem. Rev. 2004, 104, 699-767
20. H. Vahrenkamp, Acc. Chem. Res. 1999, 32, 589-596.
21. W. Sattler, G. Parkin, Chem. Sci. 2012, 3, 2015-2019
22. D. Huang, O. V. Makhlynets, L. L. Tan, S. C. Lee, E. V. Rybak-Akimova, R. H. Holm, Proc. Natl. Acad. Sci. USA 2011, 108, 1222-1227
23. C. Bergquist, T. Fillebeen, M. M. Morlok, G. Parkin, J. Am. Chem. Soc. 2003, 125, 6189-6199
24. L. Cronin, P. H. Walton, Chem. Commun. 2003, 1572-1573
25. C. Bergquist, G. Parkin, J. Am. Chem. Soc. 1999, 121, 6322-6323
26. S. Hikichi, M. Tanaka, Y. Moro-oka, J. Am. Chem. Soc. 1993, 115, 5496-5508
27. A. Looney, R. Han, K. McNeill, G. Parkin, J. Am. Chem. Soc. 1993, 115, 4690-4697
28. E. Kimura, T. Shiota, T. Koike, M. Shiro, M. Kodama, J. Am. Chem. Soc. 1990, 112, 5805-5811.
29. D. Prochowicz, K. Sokołowski, J. Lewiński, Coord. Chem. Rev. 2014, 270-271, 112-126.
30. W. Bury, E. Krajewska, M. Dutkiewicz, K. Sokołowski, I. Justyniak, Z. Kaszkur, K. J. Kurzydłowski, T. Płociński, J. Lewiński, Chem. Commun. 2011, 47, 5467-5469.
31. K. Sokołowski, W. Bury, I. Justyniak, A. M. Cies̈lak, M. Wolska, K. Sołtys, I. Dzięcielewski, J. Lewiński, Chem. Commun. 2013, 49, 5271-5273.
32. K. Sokołowski, I. Justyniak, W. ͆liwiński, K. Sołtys, A. Tulewicz, A. Kornowicz, R. Moszyński, J. Lipkowski, J. Lewiński, Chem. Eur. J. 2012, 18, 5637-5645.
33. K. Sokołowski, W. Bury, I. Justyniak, D. Fairen-Jimenez, K. Sołtys, D. Prochowicz, S. Yang, M. Schröder, J. Lewiński, Angew. Chem. Int. Ed. 2013, 52, 13414-13418
34. Angew. Chem. 2013, 125, 13656-13660.
35. W. Kuran, M. Czarnecka, J. Organomet. Chem. 1984, 263, 1-7
36. J. Lewiński, M. Dutkiewicz, M. Lesiuk, W. ͆liwiński, K. Zelga, I. Justyniak, J. Lipkowski, Angew. Chem. Int. Ed. 2010, 49, 8266-8269
37. Angew. Chem. 2010, 122, 8442-8445.
38. 6, for example, see
39. C. J. Harlan, S. G. Bott, A. R. Barron, J. Am. Chem. Soc. 1995, 117, 6465-6474.
40. 2, 189 K), see:, W. Sattler, G. Parkin, Polyhedron 2012, 32, 41-48; more recently these authors reported the first terminal zinc bicarbonate complexes to be structurally characterized by using XRD; for details, see ref. [4a].
41. Z. Sun, L. Jin, S. He, Y. Zhao, M. Wei, D. G. Evans, X. Duan, Green Chem. 2012, 14, 1909-1916
42. H. Noei, C. Wöll, M. Mühler, Y. Wang, J. Phys. Chem. C 2011, 115, 908-914
43. S. T. Korhonen, M. Calatayud, A. O. I. Krause, J. Phys. Chem. C 2008, 112, 16096-16102.
44. A. Bottoni, C. Z. Lanza, G. P. Miscione, D. Spinelli, J. Am. Chem. Soc. 2004, 126, 1542-1550
45. G. P. Miscione, M. Stenta, D. Spinelli, E. Anders, A. Bottoni, Theor. Chem. Acc. 2007, 118, 193-201.
46. B. Kersting, Angew. Chem. Int. Ed. 2001, 40, 3987-3990
47. Angew. Chem. 2001, 113, 4109-4112
48. L. Castro, O. P. Lam, S. C. Bart, K. Meyer, L. Maron, Organometallics 2010, 29, 5504-5510
49. M. M. El-Hendawy, N. J. English, D. A. Mooney, Inorg. Chem. 2012, 51, 5282-5288
50. M. M. El-Hendawy, S. Bandaru, N. J. English, D. A. Mooney, Catal. Sci. Technol. 2013, 3, 2234-2243
51. O. J. Cooper, C. Camp, J. Pecaut, C. E. Kefalidis, L. Maron, M. Mazzanti, S. Gambarell, J. Am. Chem. Soc. 2014, 136, 6716-6723.
52. J.-Y. Liang, W. N. Lipscomb, J. Am. Chem. Soc. 1986, 108, 5051-5058
53. J.-Y. Liang, W. N. Lipscomb, Biochemistry 1987, 26, 5293-5301
54. D. N. Silverman, S. Linsdkog, Acc. Chem. Res. 1988, 21, 30-36
55. M. Sola, A. Lledos, M. Duran, J. Bertran, J. Am. Chem. Soc. 1992, 114, 869-877
56. K. M. Merz Jr, L. Banci, J. Am. Chem. Soc. 1997, 119, 863-871
57. M. Mauksch, M. Brauer, J. Weston, E. Anders, ChemBioChem 2001, 2, 190-198
58. M. Bräuer, J. L. Perez-Lustres, J. Weston, E. Anders, Inorg. Chem. 2002, 41, 1454-1463
59. S. B. Lesnichin, I. G. Shenderovich, T. Muljati, D. Silverman, H.-H. Limbach, J. Am. Chem. Soc. 2011, 133, 11331-11338.
60. A. Bondi, J. Phys. Chem. 1964, 68, 441-451.
61. M. Hartmann, K. M. Merz, R. van Eldik, T. Clark, J. Mol. Model. 1998, 4, 355-365.
62. J. Lewiński, M. Dranka, W. Bury, W. ͆liwiński, I. Justyniak, J. Lipkowski, J. Am. Chem. Soc. 2007, 129, 3096-3098.
63. G. M. Sheldrick, Acta Crystallogr. Sect. A 1990, 46, 467-473.
64. G. M. Sheldrick, SHELXS97 and SHELXL97, Programs for Crystal Structure Solution and Refinement, University of Göttingen, Germany, 1997.
65. C. Adamo, V. Barone, J. Chem. Phys. 1999, 110, 6158-6170.
66. M. P. Waller, H. Braun, N. Hojdis, M. Buhl, J. Chem. Theory Comput. 2007, 3, 2234-2242.
67. M. Bühl, C. Reimann, D. A. Pantazis, T. Bredow, F. Neese, J. Chem. Theory Comput. 2008, 4, 1449-1459.
68. A. D. Boese, A. M. L. Martin, J. Chem. Phys. 2004, 121, 3405-3416.
69. Y. Sun, H. Chen, J. Chem. Theory Comput. 2014, 10, 579-588.
70. Gaussian 09, Revision B.01, 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, N. J. 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, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, D. J. Fox, Gaussian, Inc., Wallingford CT, 2010.
71. C. Y. Legault, CYLview, 1.0b; Université de Sherbrooke: Sherbrooke, Canada, 2009; http://www.cylview.org.