Direct perfluorination of K2B12H12 in acetonitrile occurs at the gas bubble-solution interface and is inhibited by HF. Experimental and DFT study of inhibition by protic acids and soft, polarizable anions

Journal of the American Chemical Society

Volumn 131, Issue 51, 2009, Pages 18393-18403

  Peryshkov, Dmitry V ^a   Popov, Alexey A ^b   Strauss, Steven H ^a  

^a Department of Environmental and Radiological Health Sciences   (United States)

^b MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ANHYDROUS SALTS; BULK SOLUTIONS; DFT CALCULATION; DFT STUDY; GAS BUBBLE; PERFLUORINATION; POLARIZABILITIES; PROTIC ACIDS; SOLUTION INTERFACE; THERMALLY STABLE;

ACETONITRILE; ACIDS; CESIUM; FLUORINATION; FLUORINE; HALOGENATION; HYDROFLUORIC ACID; ORGANIC SOLVENTS; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS;

PHASE INTERFACES;

ACETONITRILE; ANION; GLASS; POTASSIUM DERIVATIVE; POTASSIUM DODECAHYDRODODECABORATE METHANOLATE; SOLVENT; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL REACTION; CONTROLLED STUDY; FLUORINATION; GAS; HARDNESS; POLARIZATION; PURIFICATION; SYNTHESIS; TEMPERATURE; THERMOSTABILITY;

EID: 73249149273     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9069437     Document Type: Article

References (64)

1. Connelly, N. G.; Damhus, T.; Hartshorn, R. M.; Hutton, A. T. Nomenclature of Inorganic Chemistry. IUPAC Recommendations 2005; Royal Society of Chemistry: London, 2005.
2. Pitochelli, A. R.; Hawthorne, M. F. J. Am. Chem. Soc. 1960, 82, 3228-3229.
3. Muetterties, E. L.; Knoth, W. H. Polyhedral Boranes; M. Dekker: New York, 1969.
4. Grimes, R. N. J. Chem. Educ. 2004, 81, 658-672.
5. Muetterties, E. L.; Merrifield, R. E.; Miller, H. C.; Knoth, W. H., Jr.; Downing, J. R. J. Am. Chem. Soc. 1962, 84, 2506-2508.
6. Maderna, A.; Knobler, C. B.; Hawthorne, M. F. Angew. Chem., Int. Ed. 2001, 40, 1661-1664.
7. Thomas, J.; Hawthorne, M. F. Chem. Commun. 2001, 1884-1885.
8. Peymann, T.; Knobler, C. B.; Hawthorne, M. F. J. Am. Chem. Soc. 1999, 121, 5601-5602.
9. Peymann, T.; Knobler, C. B.; Khan, S. I.; Hawthorne, M. F. Inorg. Chem. 2001, 40, 1291-1294.
10. Peymann, T.; Knobler, C. B.; Khan, S. I.; Hawthorne, M. F. Angew. Chem., Int. Ed. 2001, 40, 1664-1667.
11. Farha, O. K.; Julius, R. L.; Lee, M. W.; Huertas, R. E.; Knobler, C. B.; Hawthorne, M. F. J. Am. Chem. Soc. 2005, 127, 18243-18251.
12. Peymann, T.; Knobler, C. B.; Hawthorne, M. F. Inorg. Chem. 2000, 39, 1163-1170.
13. Peymann, T.; Herzog, A.; Knobler, C. B.; Hawthorne, M. F. Angew. Chem., Int. Ed. 1999, 38, 1061-1064.
14. Peymann, T.; Knobler, C. B.; Khan, S. I.; Hawthorne, M. F. J. Am. Chem. Soc. 2001, 123, 2182-2185.
15. Knoth, W. H.; Miller, H. C.; Sauer, J. C.; Balthis, J. H.; Chia, Y. T.; Muetterties, E. L. Inorg. Chem. 1964, 3, 159-167.
16. Avelar, A.; Tham, F. S.; Reed, C. A. Angew. Chem., Int. Ed. 2009, 48, 3491-3493.
17. Tiritiris, I.; Schleid, T. Z. Anorg. Allg. Chem. 2004, 630, 1555-1563.
18. Geis, V.; Guttsche, K.; Knapp, C.; Scherer, H.; Uzun, R. Dalton Trans. 2009, 2687-2694.
19. Nieuwenhuyzen, M.; Seddon, K. R.; Teixidor, F.; Puga, A. V. Inorg. Chem. 2009, 48, 889-901.
20. Knapp, C.; Schulz, C. Chem. Commun. 2009, 4991-4993.
21. Solntsev, K. A.; Mebel, A. M.; Votinova, N. A.; Kuznetsov, N. T.; Charkin, O. P. Koord. Khim. 1992, 18, 340-364.
22. Solntsev, K. A.; Ivanov, S. V.; Sakharov, S. G.; Katser, S. B.; Chernayavskii, A. S.; Votinova, N. A.; Klyuchishche; E. A.; Kuznetsov, N. T. Russ. J. Coord. Chem. 1997, 23, 369-376.
23. Ivanov, S. V.; Miller, S. M.; Anderson, O. P.; Solntsev, K. A.; Strauss, S. H. J. Am. Chem. Soc. 2003, 125, 4694-4695.
24. Strauss, S. H.; Ivanov, S. V. Fluoroborate Salts Comprising a Reactive Cation and Uses Thereof. U.S. Patent 6,448,447 B1, 2002.
25. Casteel, W. J., Jr.; Ivanov, S. V. Process for the Fluorination of Boron Hydrides. U.S. Patent 6781005 B1, 2004.
26. Knoth, W. H.; Miller, H. C.; England, D. C.; Parshall, G. W.; Muetterties, E. L. J. Am. Chem. Soc. 1962, 84, 1056-1057.
27. Ivanov, S. V.; Lupinetti, A. J.; Solntsev, K. A.; Strauss, S. H. J. Fluorine Chem. 1998, 89, 65-72.
28. Sivaev, I. B.; Bregadze, V. I.; Sjöberg, S. Collect. Czech. Chem. Commun. 2002, 67, 679-727.
29. Shore, S. G.; Hamilton, E. J. M.; Bridges, A. N.; Bausch, J.; Krause-Bauer, J. A.; Dou, D.; Liu, J.; Liu, S.; Du, B.; Hall, H.; Meyers, E. A.; Vermillion, K. E. Inorg. Chem. 2003, 42, 1175-1186.
30. Mebel, A. M.; Charkin, O. P.; Solntsev, K. A.; Kuznetsov, N. T. Zh. Neorg. Khim. 1989, 34, 1444-1448.
31. Ivanov, S. V.; Rockwell, J. J.; Miller, S. M.; Anderson, O. P.; Solntsev, K. A.; Strauss, S. H. Inorg. Chem. 1996, 35, 7882-7891.
32. Ivanov, S. V.; Ivanova, S. M.; Miller, S. M.; Anderson, O. P.; Solntsev, K. A.; Strauss, S. H. Inorg. Chem. 1996, 35, 6914-6915.
33. Kobayashi, Y.; Ivanov, S. V.; Popov, A. A.; Miller, S. M.; Anderson, O. P.; Solntsev, K. A.; Strauss, S. H. Heteroatom Chem. 2006, 17, 181-187.
34. Ivanov, S. V.; Davis, J. A.; Miller, S. M.; Anderson, O. P.; Strauss, S. H. Inorg. Chem. 2003, 42, 4489-4491.
35. Kobayashi, Y.; Popov, A. A.; Miller, S. M.; Anderson, O. P.; Strauss, S. H. Inorg. Chem. 2007, 46, 8505-8507.
36. Hop, C. E. C. A.; Saulys, D. A.; Gaines, D. F. Inorg. Chem. 1995, 34, 1977-1978.
37. Hop, C. E. C. A.; Saulys, D. A.; Bridges, A. N.; Gaines, D. F.; Bakhtiar, R. Main Group Metal Chem. 1996, 19, 743-751.
38. Rewick, R. T.; Tolberg, W. E.; Hill, M. E. J. Chem. Eng. Data 1970, 15, 527-530.
39. Gambaretto, G. P.; Conte, L.; Napoli, M.; Legnaro, E.; Carlini, F. M. J. Fluorine Chem. 1993, 60, 19-25.
40. Cacace, F.; Giacomello, P.; Wolf, A. P. J. Am. Chem. Soc. 1980, 102, 3511-3515.
41. Grakauskas, V.; Baum, K. J. Org. Chem. 1969, 34, 2840-2845.
42. Jähnisch, K.; Baerns, M.; Hessel, V.; Ehrfeld, W.; Haverkamp, V.; Löwe, H.; Wille, C.; Guber, A. J. Fluorine Chem. 2000, 105, 117-128.
43. Chambers, R. D.; Kenwright, A. M.; Parsons, M.; Sandford, G.; Moilliet, J. S. J. Chem. Soc., Perkin Trans. 1 2002, 2190-2197.
44. Appleman, E. H.; Dunkelberg, O.; Kol, M. J. Fluorine Chem. 1992, 56, 199-213.
45. Rozen, S. Eur. J. Org. Chem. 2005, 2433-2447.
46. Jungwirth, P.; Tobias, D. J. Chem. Rev. 2006, 106, 1259-1281.
47. Gopalakrishnan, S.; Lui, D.; Allen, H. C.; Kuo, M.; Shultz, M. J. Chem. Rev. 2006, 106, 1155-1175.
48. Chang, T.-M.; Dang, L. X. Chem. Rev. 2006, 106, 1305-1322.
49. Cheng, J.; Hoffmann, M. R.; Colussi, A. J. J. Phys. Chem. B 2008, 112, 7157-7161.
50. Picalek, J.; Minofar, B.; Kolafa, J.; Jungwirth, P. Phys. Chem. Chem. Phys. 2008, 10, 5765-5775.
51. Parfenyuk, V. I. Colloid J. 2004, 66, 520-524.
52. Cwiklik, L.; Andersson, G.; Dang, L. X.; Jungwirth, P. ChemPhysChem 2007, 8, 1457-1463.
53. Jungwirth, P.; Winter, B. Annu. Rev. Phys. Chem. 2008, 59, 343-366.
54. Marcus, Y. Thermochim. Acta 1986, 104, 389-394.
55. Sremaniak, L. S.; Perera, L.; Berkowitz, M. L. Chem. Phys. Lett. 1994, 219, 377-382.
56. Stockmayer, W. H.; Rice, D. W.; Stephenson, C. C. J. Am. Chem. Soc. 1955, 77, 1980-1983.
57. Werner, H.-J.; Meyer, W. Mol. Phys. 1976, 31, 855-872.
58. Dupon, R.; Papke, B. L.; Ratner, M. A.; Whitmore, D. H.; Shriver, D. F. J. Am. Chem. Soc. 1982, 104, 6247-6251.
59. Walter, M.; Ramaley, L. Anal. Chem. 1973, 45, 165-166.
60. Neese, F. ORCA: an ab initio, density functional and semiempirical program package, Version 2.7-00; Institute for Physical and Theoretical Chemistry: Bonn, 2000.
61. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868.
62. Adamo, C.; Barone, V. J. Chem. Phys. 1999, 110, 6158-6170.
63. Weigend, F.; Ahlrichs, R. Phys. Chem. Chem. Phys. 2005, 7, 3297-3305.
64. Sinnecker, S.; Rajendran, A.; Klamt, A.; Diedenhofen, M.; Neese, F. J. Phys. Chem. 2006, 110, 2235-2245.