Dehydration and dehydrogenation of alcohols with mononuclear cationic vanadium oxides in the gas phase and energetics of VOnH0/+ (n = 2, 3)

European Journal of Inorganic Chemistry

Volumn , Issue 17, 2007, Pages 2454-2464

  Engeser, Marianne ^a   Schröder, Detlef ^b   Schwarz, Helmut ^c  

^a UNIVERSITY OF BONN   (Germany)

^b INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^c TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Alcohol oxidation; Dehydration; Mass spectrometry; Metal alkoxides; Vanadium

Indexed keywords

ALCOHOLS; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; MASS SPECTROMETRY; OXIDES; VANADIUM COMPOUNDS;

ALCOHOL OXIDATION; CATIONICS; DEHYDRATION OF ALCOHOL; DEHYDROGENATION OF ALCOHOLS; FOURIER TRANSFORM ION CYCLOTRON RESONANCE MASS SPECTROMETRY; FOURIER-TRANSFORM ION CYCLOTRON RESONANCE MASS SPECTROMETRY; GAS-PHASES; ION MOLECULE/REACTION; METAL ALKOXIDES; REACTION PATHWAYS;

DEHYDRATION;

EID: 34347238258     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.200700062     Document Type: Article

References (63)

1. Selective Oxidation by Heterogeneous Catalysis (Eds.: G. Centi, F. Cavani, F. Trifiró), Kluwer Academic/Plenum Publishers, New York, 2001.
2. Appl. Catal. A 1997, 175; the entire volume deals with this topic.
3. Y. Zhang-Lin, M. Forissier, R. P. Sneeden, J. C. Védrine, J. C. Volta, J. Catal. 1994, 145, 267-275.
4. B. M. Weckhuysen, D. E. Keller, Catal. Today 2003, 78, 25-46.
5. D. Schröder, H. Schwarz, Angew. Chem. 1995, 107, 2126-2150;
6. Angew. Chem. Int. Ed. Engl. 1995, 34, 1973-1995.
7. D. K. Bohme, H. Schwarz, Angew. Chem. 2005, 117, 2388-2406;
8. Angew. Chem. Int. Ed. 2005, 44, 2336-2354; and references cited therein.
9. K. Koszinowski, D. Schröder, H. Schwarz, Angew. Chem. 2004, 116, 124-127;
10. Angew. Chem. Int. Ed. 2004, 43, 121-124.
11. D. Schröder, H. Schwarz, S. Shaik, Struct. Bond. 2000, 97, 91-123.
12. a) D. Schröder, J. Loos, M. Engeser, H. Schwarz, H.-C. Jankowiak, R. Berger, R. Thissen, O. Dutuit, J. Döbler, J. Sauer, Inorg. Chem. 2004, 43, 1976-1985;
13. b) D. Schröder, M. Engeser, H. Schwarz, E. C. E. Rosenthal, J. Doebler, J. Sauer, Inorg. Chem. 2006, 45, 6235-6245.
14. D. Schröder, M. Engeser, M. Bronstrup, C. Daniel, J. Spandl, H. Hartl, Int. J. Mass Spectrom. 2003, 228, 743-757.
15. M. Kaczorowska, D. Schröder, H. Schwarz, Eur. J. Inorg. Chem. 2005, 2919-2923.
16. a) Y. Cao, X. Zhao, B. Xin, S. Xiong, Z. Tang, J. Mol. Struct. (Theochem) 2004, 683, 141-146;
17. b) D. R. Justes, N. A. Moore, A. W. Castleman Jr, J. Phys. Chem. B 2004, 108, 3855-3862.
18. M. Engeser, D. Schröder, H. Schwarz, Chem. Eur. J. 2005, 11, 5975-5987.
19. S. Feyel, L. Scharfenberg, C. Daniel, H. Hartl, D. Schröder, H. Schwarz, J. Phys. Chem. A; DOI: 10.1021/jp067454o.
20. Efficiency relative to the gas-kinetic collision rate calculated according to: T. Su, J. Chem. Phys. 1988, 89, 5355-5356.
21. J. R. Sambrano, J. Andres, L. Gracia, V. S. Safont, A. Beltrán Chem. Phys. Lett. 2004, 384, 56-62.
22. G. K. Koyanagi, D. K. Bohme, I. Kretzschmar, D. Schröder, H. Schwarz, J. Phys. Chem. A 2001, 105, 4259-4271.
23. See also: C. Trage, M. Diefenbach, D. Schröder, H. Schwarz, Chem. Eur. J. 2006, 12, 2454-2464.
24. M. Engeser, M. Schlangen, D. Schröder, H. Schwarz, T. Yumura, K. Yoshizawa, Organometallics 2003, 22, 3933-3943.
25. NIST Standard Reference Database: http://webbook.nist.gov/chemistry.
26. Lehrbuch der Anorganischen Chemie, A. F. Hollemann, E. Wiberg, N. Wiberg, 91-100th ed., de Gruyter, Berlin, 1985, p. 1073.
27. D. Schröder, R. Wesendrup, C. A. Schalley, W. Zummack, H. Schwarz, Helv. Chim. Acta 1996, 79, 123-132.
28. For the sake of simplicity, reaction products with relative abundances below 2% are not listed in Table 2. Therefore, the sum of all entries is lower than 100% in some cases.
29. J. Loos, D. Schröder, W. Zummack, H. Schwarz, Int. J. Mass Spectrom. 2002, 217, 169-177, and references therein.
30. P. A. M. van Koppen, M. T. Bowers, E. R. Fisher, P. B. Armentrout, J. Am. Chem. Soc. 1994, 116, 3780-3791.
31. See also: B. Leyh, E. Gridelet, R. Locht, J. C. Lorquet, Int. J. Mass Spectrom. 2006, 249, 330-339.
32. See also:a) C. Trage, W. Zummack, D. Schröder, H. Schwarz, Angew. Chem. 2001, 113, 2780-2782;
33. Angew. Chem. Int. Ed. 2001, 40, 2708-2710;
34. b) C. Trage, D. Schröder, H. Schwarz, Organometallics 2003, 22, 693-707.
35. R. C. Bell, K. A. Zemski, A. W. Castleman Jr, J. Cluster Sci. 1999, 10, 509-524.
36. K. Yoshizawa, Y. Kagawa, J. Phys. Chem. A 2000, 104, 9347-9355.
37. E. F. Fialko, A. V. Kikhtenko, V. B. Goncharov, Organometallics 1998, 17, 25-31.
38. B. A. Rumpf, C. E. Allison, P. J. Derrick, Org. Mass Spectrom. 1986, 21, 295-299.
39. K. Eller, W. Zummack, H. Schwarz, J. Am. Chem. Soc. 1990, 112, 621-627.
40. H. Schwarz, Int. J. Mass Spectrom. 2004, 237, 75-105.
41. L. Gracia, J. R. Sambrano, V. S. Safont, A. Beltrán, Organometallics 2004, 23, 730-739.
42. M. Engeser, Dissertation, Logos, Berlin, 2004.
43. D. Schröder, M. Engeser, H. Schwarz, J. N. Harvey, ChemPhysChem 2002, 3, 584-591.
44. M. Pykavy, C. van Wüllen, J. Phys. Chem. A 2003, 107, 5566-5572.
45. L. B. Knight Jr, R. Babb, M. Ray, T. J. Banisaukas III, L. Russon, R. S. Dailey, R. Davidson, J. Chem. Phys. 1996, 105, 10237-10250.
46. M. Calatayud, B. Silvi, J. Andrés, A. Beltrán, Chem. Phys. Lett. 2001, 333, 493-503.
47. S. F. Vyboishchikov, J. Sauer, J. Phys. Chem. A 2001, 105, 8588-8598.
48. K. Eller, H. Schwarz, Int. J. Mass Spectrom. Ion Processes 1989, 93, 243-257.
49. J. N. Harvey, M. Diefenbach, D. Schröder, H. Schwarz, Int. J. Mass Spectrom. 1999, 182/183, 85-97.
50. D. Schröder, H. Schwarz, D. E. Clemmer, Y.-M. Chen, P. B. Armentrout, V. I. Baranov, D. K. Böhme, Int. J. Mass Spectrom. Ion Processes 1997, 161, 175-191.
51. J. E. Bartmess, R. M. Georgiadis, Vacuum 1983, 33, 149-153.
52. C. A. Schalley, D. Schröder, H. Schwarz, Int. J. Mass Spectrom. Ion Processes 1996, 153, 173-199.
53. a) C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785-789;
54. b) B. Miehlich, A. Savin, H. Stoll, H. Preuss, Chem. Phys. Lett. 1989, 157, 200-206;
55. c) A. D. Becke, J. Chem. Phys. 1993, 98, 5648-5652.
56. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, J. A. Pople, Gaussian 98 (Revision A.7), Gaussian, Inc., Pittsburgh, PA, 1998.
57. A. Schäfer, C. Huber, R. Ahlrichs, J. Chem. Phys. 1994, 100, 5829-5835.
58. M. W. Chase Jr, J. Phys. Chem. Ref Data 1998, 9, 1-1951.
59. J. Berkowitz, G. B. Ellison, D. Gutman, J. Phys. Chem. 1994, 98, 2744-2765.
60. J. Harrington, J. C. Weisshaar, J. Chem. Phys. 1992, 97, 2809-2812.
61. D. E. Clemmer, N. Aristov, P. B. Armentrout, J. Phys. Chem. 1993, 97, 544-552.
62. S. G. Lias, J. E. Bartmess, J. F. Liebman, J. L. Holmes, R. D. Levin, W. G. Mallard, J. Phys. Chem. Ref. Data 1988, 17, Suppl. 1.
63. X. Zhong, J. W. Bozzelli, Int. J. Chem. Kinet. 1997, 29, 893-913.