An Improved Gas Electron Diffractometer - The Instrument, Data Collection, Reduction and Structure Refinement Procedures

Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences

Volumn 64, Issue 11-12, 2009, Pages 1259-1268

  Berger, Raphael J F ^a   Hoffmann, Manfred ^a   Hayes, Stuart A ^a   Mitzel, Norbert W ^a  

^a BIELEFELD UNIVERSITY   (Germany)

Author keywords

2 Azabicyclo 4.4 dec 1,3,5,7,9 penta en; Gas Electron Diffraction; Gas phase Structure Determination; Instrumentation; Structural Chemistry

Indexed keywords

DIFFRACTOMETERS; ELECTRON DIFFRACTION; ELECTRON GUNS; ELECTRONS; PHASE STRUCTURE; VACUUM PUMPS;

2-AZABICYCLO[4.4]DEC-1,3,5,7,9-PENTA-EN; GAS ELECTRON DIFFRACTION; GAS-PHASE STRUCTURES; INSTRUMENTATION; STRUCTURAL CHEMISTRY;

GASES;

EID: 73849132428     PISSN: 09320776     EISSN: None     Source Type: Journal    
DOI: 10.1515/znb-2009-11-1204     Document Type: Article

References (53)

1. Die Fragmente der Vorsokratiker. Griechisch und Deutsch von Hermann Diels, 6th ed., (Ed.: W. Kranz), Weidemann, Hildesheim, 2004, 57.
2. W. Friedrich, P. Knipping, M. V. Laue, Interferenz-Erscheinungen bei Röntgenstrahlen. Sitzungsberichte der Mathematisch-Physikalischen Classe der Koniglich-Bayerischen Akademie der Wissenschaften zu München, München, 1912, 303.
3. H. Mark, R. Wierl, Naturwiss. 1930, 18, 205.
4. Groups which are currently active in the field of structure determination of new chemical compounds and maintaining a GED instrument are located in Corvallis, U.S.A. (K. Hedberg), Edinburgh, U.K. (D.W.H. Rankin), Ivanovo, Russia (G. Girichev), Oslo, Norway (S. Samdal), Moskow, Russia (L. V. Vilkov), Reading U. K. (D. Rice), Tokio, Japan (N. Kuze) and Bielefeld, Germany (N.W. Mitzel). Groups which are currently active in the development of new GED methodologies are in Edinburgh, U. K. (D. Rankin, state specific GED), Pasadena, U. S. A. (A. Zewail, ultrafast electron diffraction), Karlsruhe, Germany (D. Schooss, trapped metal-cluster-ion ED), Munchen, Germany (E. Fill, oriented-molecule electron diffraction).
5. J. A. Pople, in From Nobel Lectures, Chemistry 1996-2000, (Ed.: I. Grenthe), World Scientific Publishing Co., Singapore, 2003, p. 246.
6. V. J. Klimkowski, J. D. Ewbank, C. van Alsenoy, L. Schafer, J. Am. Chem. Soc. 1982, 104, 1476.
7. D. W. H. Rankin, in Stereochemical Applications of Gas-Phase Electron Diffraction, Vol. 1, (Ed.: I. Hargittai and M. Hargittai), VCH-Publishers Inc., New York 1988, p. 451.
8. A. J. Blake, P. T. Brain, H. McNab, J. Miller, C. A. Morrison, S. Parsons, D. W. H. Rankin, H. E. Robertson, B. A. Smart, J. Phys. Chem. 1996, 100, 12280;
9. P. T. Brain, C. A. Morrison, S. Parsons, D. W. H. Rankin, Dalton Trans. 1996, 4589;
10. N. W. Mitzel, D. W. H. Rankin, Dalton Trans. 2003, 3650.
11. S. L. Hinchley, M. F. Haddow, D. W. H. Rankin, Dalton Trans. 2004, 384.
12. H. Schmidbaur, W. Tronich, Chem. Ber. 1968, 101, 595;
13. N. W. Mitzel, D. H. Brown, S. Parsons, P. T. Brain, C. R. Pulham, D. W. H. Rankin, Angew. Chem. 1998, 110, 1767;
14. Angew. Chem., Int. Ed. Engl. 1998, 37, 1670.
15. K. R. Leopold, M. Canagaratna, J. A. Phillips, Acc. Chem. Res. 1997, 30, 57.
16. M. Hagemann, A. Mix, R. J. F. Berger, T. Pape, N. W. Mitzel, Inorg. Chem. 2008, 47, 10554.
17. M. Hagemann, R. J. F. Berger, S. A. Hayes, H.-G. Stammler, N. W. Mitzel, Chem. Eur. J. 2008, 14, 11027.
18. D. Himmel, N. Trapp, I. Krossing, S. Altmannshofer, V. Herz, G. Eickerling, W. Scherer, Angew. Chem. 2008, 120, 7914;
19. Angew. Chem. Int. Ed. 2008, 120, 7772.
20. N. W. Mitzel, K. Vojinovic, T. Foerster, H. E. Robertson, K. B. Borisenko, D. W. H. Rankin, Chem. Eur. J. 2005, 11, 5114.
21. N. W. Mitzel, K. Vojinovic, R. Fröhlich, T. Foerster, D. W. H. Rankin, J. Am. Chem. Soc. 2005, 127, 1370.
22. N. W. Mitzel, C. Lustig, R. J. F. Berger, N. Runeberg, Angew. Chem. 2002, 114, 2629;
23. Angew. Chem. Int. Ed. 2002, 41, 2519.
24. N. W. Mitzel, U. Losehand, A. Richardson, Organometallics 1999, 18, 2610.
25. W. Zeil, J. Haase, L. Wegmann, Z. Instr. 1966, 74, 84.
26. E. Bauer, Elektronenbeugung. Theorie, Praxis und in-dustrielle Anwendungen, Verlag Moderne Industrie, München 1958, p. 69.
27. S. Gundersen, S. Samdal, R. Seip, T. G. Strand, J. Mol. Struct. 2004, 691, 149.
28. T. G. Strand (Oslo), private communication 2006.
29. S. L. Hinchley, H. E. Robertson, K. B. Borisenko, A. R. Turner, B. F. Johnston, D. W. H. Rankin, M. Ahmadian, J. N. Jones, A. H. Cowley, Dalton Trans. 2004, 2469.
30. V. A. Sipachev, J. Mol. Struct. 1985, 121, 143.
31. A. W. Ross, M. Fink, R. Hilderbrandt, in International Tables for Crystallography, Vol. C, (Ed.: A.J.C. Wilson), Kluwer, Dordrecht 1992, p. 245.
32. H. G. O. Becker, W. Berger, G. Domschkeb, Organikum, 22. vollst. uberarb. u. aktualis. Auflage, Wiley- VCH, 2004, p. 40.
33. J. E. Davies, A. D. Bond, Acta Crystallogr. 2001, E57, 0947.
34. H. Beyer, W. Wolfgang, Lehrbuch der Organischen Chemie, 21. Aufl., Hirzel, Stuttgart, 1988, p. 628.
35. R. Ahlrichs, M. Bar, M. Haser, H. Horn, C. Kolmel, Chem. Phys. Lett. 1989, 162, 165;
36. M. Haser, R. Ahlrichs, J. Comput. Chem. 1989, 10, 104.
37. R. Ahlrichs, Phys. Chem. Chem. Phys. 2004, 6, 5119;
38. F. Weigend, M. Haser, Theor. Chem. Acc. 1997, 97, 331;
39. F. Weigend, M. Haser, H. Patzelt, R. Ahlrichs, Chem. Phys. Lett. 1998, 294, 143;
40. F. Haase, R. Ahlrichs, J. Comp. Chem. 1993, 14, 907.
41. A. Kohn, C. Hattig, J. Chem. Phys. 2003, 119, 5021;
42. C. Hattig, J. Chem. Phys. 2003, 118, 7751.
43. S. Grimme, J. Chem. Phys. 2003, 118, 9095.
44. F. Weigend, F. Furche, R. Ahlrichs, J. Chem. Phys. 2003, 119, 12753;
45. F. Weigend, R. Ahlrichs, Phys. Chem. Chem. Phys. 2005, 7, 3297.
46. C. Hattig, Phys. Chem. Chem. Phys. 2005, 7, 59;
47. A. Hellweg, C. Hattig, S. Hofener, W. Klopper, Theor. Chem. Acc. 2007, 117, 587.
48. P. A. M. Dirac, Proc. Royal Soc. (London) 1929, A 123, 714;
49. S. H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 1980, 58, 1200;
50. A. D. Becke, Phys. Rev. 1988, A 38, 3098;
51. C. Lee, W. Yang, R. G. Parr, Phys. Rev. 1988, B 37, 785;
52. A. D. Becke, J. Chem. Phys. 1993, 98, 5648.
53. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, 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, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, GAUSSIAN 03 (revision E.01) Gaussian, Inc., Wallingford CT, (U. S.A.) 2004.