Structures, spectroscopy and modeling of a rare set of isomeric copper(II) complexes

Inorganica Chimica Acta

Volumn 374, Issue 1, 2011, Pages 422-428

  Comba, Peter ^a   Pandian, Shanthi ^a   Wadepohl, Hubert ^a   Wiesner, Sebastian ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

Axial and rhombic; Copper bispidine; Density functional theory; Diastereo isomer; Distortional isomerism; Ligand field

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE SPECTROSCOPY; ISOMERS; LIGANDS; SPECTROSCOPIC ANALYSIS; STEREOCHEMISTRY;

AXIAL AND RHOMBIC; COPPER COMPLEXES; DISTORTIONAL ISOMERISM; LIGAND FIELD; LIGAND FIELD THEORY; SPECTROSCOPIC DATA; SPECTROSCOPIC PROPERTY; TETRADENTATE LIGANDS;

COPPER COMPOUNDS;

EID: 79960554724     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2011.02.047     Document Type: Article

References (52)

1. H. Börzel, P. Comba, C. Katsichtis, W. Kiefer, A. Lienke, V. Nagel, and H. Pritzkow Chem. Eur. J. 5 1999 1716
2. H. Börzel, P. Comba, K.S. Hagen, C. Katsichtis, and H. Pritzkow Chem. Eur. J. 6 2000 914
3. H. Börzel, P. Comba, and H. Pritzkow J. Chem. Soc., Chem. Commun. 2001 97
4. H. Börzel, P. Comba, K.S. Hagen, M. Kerscher, H. Pritzkow, M. Schatz, S. Schindler, and O. Walter Inorg. Chem. 41 2002 5440
5. P. Comba, M. Merz, and H. Pritzkow Eur. J. Inorg. Chem. 2003 1711
6. K. Born, P. Comba, R. Ferrari, S. Kuwata, G.A. Lawrance, and H. Wadepohl Inorg. Chem. 46 2007 458
7. P. Comba, M. Kerscher, and W. Schiek Prog. Inorg. Chem. 55 2007 613
8. P. Comba, and A. Lienke Inorg. Chem. 40 2001 5206
9. P. Comba, A. Hauser, M. Kerscher, and H. Pritzkow Angew. Chem., Int. Ed. 42 2003 4536
10. P. Comba, C. Lopez de Laorden, and H. Pritzkow Helv. Chim. Acta 88 2005 647
11. P. Comba, B. Martin, A. Prikhod'ko, H. Pritzkow, and H. Rohwer C. R. Chim. 6 2005 1506
12. A. Bentz, P. Comba, R.J. Deeth, M. Kerscher, H. Pritzkow, B. Seibold, and H. Wadepohl Inorg. Chem. 47 2008 9518
13. P. Comba, M. Kerscher, M. Merz, V. Müller, H. Pritzkow, R. Remenyi, W. Schiek, and Y. Xiong Chem. Eur. J. 8 2002 5750
14. P. Comba, and W. Schiek Coord. Chem. Rev. 238-239 2003 21
15. P. Comba, C. Haaf, and H. Wadepohl Inorg. Chem. 48 2009 6604
16. W.-D. Stohrer, and R. Hoffmann J. Am. Chem. Soc. 74 1972 779
17. G. Parkin Chem. Rev. 93 1993 887
18. G. Parkin, and R. Hoffmann Angew. Chem. 106 1994 1530
19. M.M. Rohmer, and M. Bénard Chem. Soc. Rev. 30 2001 340
20. C.L. Exstrom, D. Britton, K.R. Mann, G. Hill, V.M. Miskowski, W.P. Schaefer, H.B. Gray, and W.M. Lamanna Inorg. Chem. 35 1996 549
21. K. Born, P. Comba, M. Kerscher, and H. Rohwer Dalton 2009 362
22. P. Comba, and M. Kerscher Coord. Chem. Rev. 253 2009 564
23. F. Lions, and A.M. Willison J. Proc. R. Soc. New South Wales 73 1940 240
24. A.W. Addison, T.N. Rao, J. Reedijk, J. van Rijn, and G. Verschoor J. Chem. Soc., Dalton Trans. 1984 1349
25. V.J. Burton, R.J. Deeth, C.M. Kemp, and P.J. Gilbert J. Am. Chem. Soc. 117 1995 8407
26. R.J. Deeth, N. Fey, and B.J. Williams-Hubbard J. Comp. Chem. 26 2005 123
27. P. Comba, and R. Remenyi Coord. Chem. Rev. 238-239 2003 9
28. P. Comba, V. Müller, and R. Remenyi J. Inorg. Biochem. 98 2004 896
29. M. van Gastel, G.W. Canters, H. Krupka, A. Messerschmidt, E.C. de Waal, G.C.M. Warmerdam, and E.J.J. Groenen J. Am. Chem. Soc. 122 2000 2322
30. M. Gerloch Magnetism and Ligand-Field Analysis 1983 Cambridge University Press
31. H. Stratemeier, M.A. Hitchman, P. Comba, P.V. Bernhardt, and M.J. Riley Inorg. Chem. 30 1991 4088
32. P. Comba, T.W. Hambley, M.A. Hitchman, and H. Stratemeier Inorg. Chem. 34 1995 3903
33. P. Comba Coord. Chem. Rev. 182 1999 343
34. M. Atanasov, P. Comba, B. Martin, V. Müller, G. Rajaraman, H. Rohwer, and S. Wunderlich J. Comp. Chem. 27 2006 1263
35. G.R. Hanson, K.E. Gates, C.J. Noble, M. Griffin, A. Mitchell, and S. Benson J. Inorg. Biochem. 98 2004 903
36. G.M. Sheldrick, SADABS, Bruker AXS Madison, 2004-2008.
37. R.H. Blessing Acta Crystallogr., Sect. A 51 1995 33
38. G.M. Sheldrick, sadabs-2004, first ed., Bruker AXS, Madison, Wisconsin, Göttingen, 2004-2008.
39. G.M. Sheldrick, shelxs, Program for Structure Solution, 97 ed., University of Göttingen, Göttingen, 1997.
40. G.M. Sheldrick Acta Crystallogr., Sect. A 64 2008 112
41. L. Palatinus, SUPERFLIP, EPF Lausanne, Switzerland, 2007.
42. L. Palatinus, and G. Chapuis J. Appl. Crystallogr. 40 2007 789
43. G.M. Sheldrick, shelxl-97, University of Göttingen, Göttingen, 1997.
44. 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. 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 Inc., Wallingford, CT, 2004.
45. A.D. Becke J. Chem. Phys. B 98 1993 5648
46. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
47. Chemical Computing Group, 2007.09 ed., Montreal, 2007.
48. D.A. Cruse, J.E. Davies, M. Gerloch, J.H. Harding, D.J. Mackey, and R.F. McMeeking CAMMAG, A Fortran Program for AOM Calculations 1980 University Press Cambridge Cambridge
49. P. Comba, P. Hilfenhaus, and B. Nuber Helv. Chim. Acta 80 1997 1831
50. P. Comba, H. Pritzkow, and W. Schiek Angew. Chem. 113 2001 2556
51. P. Comba, in: J.K.A. Howard, F.H. Allen, G.P. Shields (Eds.), Implications of Molecular and Materials Structure for New Technologies, Kluwer, Dordrecht, 1999, p. 87.
52. R.G. McDonald, M.J. Riley, and M.A. Hitchman Inorg. Chem. 27 1988 894