Multifrequency cw-EPR and DFT Studies of an Apparent Compressed Octahedral Cu(II) Complex

Inorganic Chemistry

Volumn 55, Issue 4, 2016, Pages 1497-1504

  Hall, Nikita ^a   Orio, Maylis ^b   Gennari, Marcello ^a   Wills, Christopher ^a   Molton, Florian ^a   Philouze, Christian ^a   Jameson, Geoffrey B ^c   Halcrow, Malcolm A ^d   Blackman, Allan G ^e   Duboc, Carole ^a  

^a UNIV GRENOBLE ALPES   (France)

^b AIX MARSEILLE UNIVERSITÉ   (France)

^c MASSEY UNIVERSITY   (New Zealand)

^d UNIVERSITY OF LEEDS   (United Kingdom)

^e AUCKLAND UNIVERSITY OF TECHNOLOGY   (New Zealand)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84958793978     PISSN: 00201669     EISSN: 1520510X     Source Type: Journal    
DOI: 10.1021/acs.inorgchem.5b02287     Document Type: Article

References (47)

1. Jahn, H. A.; Teller, E. Proc. R. Soc. London, Ser. A 1937, 161, 220-235 10.1098/rspa.1937.0142
2. Bersuker, I. B. Chem. Rev. 2001, 101, 1067-1114 10.1021/cr0004411
3. Bersuker, I. B. In Electronic Structure and Properties of Transition Metal Compounds; John Wiley & Sons, Inc: 2010; p 238-323.
4. Cotton, F. A.; Wilkinson, G.; Murillo, C. A.; Bochmann, M. Advanced Inorganic Chemistry; Wiley-Interscience: New York, 1999.
5. Folgado, J. V.; Henke, W.; Allmann, R.; Stratemeier, H.; Beltran-Porter, D.; Rojo, T.; Reinen, D. Inorg. Chem. 1990, 29, 2035-2042 10.1021/ic00336a002
6. Goodman, B. A.; Raynor, J. B. In Advances in Inorganic Chemistry and Radiochemistry; Emelus, H. J.; Sharpe, A. G., Eds.; Academic Press: 1970; Vol. 13, pp 135-362.
7. Hathaway, B. J.; Billing, D. E. Coord. Chem. Rev. 1970, 5, 143-207 10.1016/S0010-8545(00)80135-6
8. Hathaway, B. J. Struct. Bonding (Berlin) 1984, 57, 55 10.1007/BFb0111454
9. Halcrow, M. A. Dalton Trans. 2003, 4375-4384 10.1039/b309242a
10. Halcrow, M. A. Chem. Soc. Rev. 2013, 42, 1784-1795 10.1039/C2CS35253B
11. Allmann, R.; Henke, W.; Reinen, D. Inorg. Chem. 1978, 17, 378-382 10.1021/ic50180a040
12. Narr, E.; Zimmermann, H.; Godt, A.; Goldfarb, D.; Jeschke, G. Phys. Chem. Chem. Phys. 2003, 5, 3959-3967 10.1039/b305764j
13. Hitchman, M. A.; Maaskant, W.; van der Plas, J.; Simmons, C. J.; Stratemeier, H. J. Am. Chem. Soc. 1999, 121, 1488-1501 10.1021/ja981831w
14. Simmons, C. J.; Stratemeier, H.; Hitchman, M. A.; Reinen, D.; Masters, V. M.; Riley, M. J. Inorg. Chem. 2011, 50, 4900-4916 10.1021/ic200554f
15. Atanasov, M.; Hitchman, M. A.; Hoppe, R.; Murray, K. S.; Moubaraki, B.; Reinen, D.; Stratemeier, H. Inorg. Chem. 1993, 32, 3397-3401 10.1021/ic00068a005
16. Masters, V. M.; Riley, M. J.; Hitchman, M. A. J. Synchrotron Radiat. 1999, 6, 242-243 10.1107/S090904959801382X
17. Steffen, G.; Reinen, D.; Stratemeier, H.; Riley, M. J.; Hitchman, M. A.; Matthies, H. E.; Recker, K.; Wallrafen, F.; Niklas, J. R. Inorg. Chem. 1990, 29, 2123-2131 10.1021/ic00336a018
18. Reinen, D. Inorg. Chem. 2012, 51, 4458-4472 10.1021/ic202209c
19. Solanki, N. K.; McInnes, E. J. L.; Mabbs, F. E.; Radojevic, S.; McPartlin, M.; Feeder, N.; Davies, J. E.; Halcrow, M. A. Angew. Chem., Int. Ed. 1998, 37, 2221-2223 10.1002/(SICI)1521-3773(19980904)37:16<2221::AID-ANIE2221>3.0.CO;2-A
20. Holland, J. M.; Liu, X.; Zhao, J. P.; Mabbs, F. E.; Kilner, C. A.; Thornton-Pett, M.; Halcrow, M. A. J. Chem. Soc., Dalton Trans. 2000, 0, 3316-3324 10.1039/b005105p
21. Henke, W.; Reinen, D. Z. Z. Anorg. Allg. Chem. 1977, 436, 187-200 10.1002/zaac.19774360123
22. Mack, K.; Wunsche von Leupoldt, A.; Forster, C.; Ezhevskaya, M.; Hinderberger, D.; Klinkhammer, K. W.; Heinze, K. Inorg. Chem. 2012, 51, 7851-7858 10.1021/ic300929g
23. Meyer, A.; Schnakenburg, G.; Glaum, R.; Schiemann, O. Inorg. Chem. 2015, 54, 8456-8464 10.1021/acs.inorgchem.5b01157
24. Garcia-Fernandez, P.; Trueba, A.; Barriuso, M. T.; Aramburu, J. A.; Moreno, M. Dynamic and Static Jahn-Teller Effect in Impurities: Determination of the Tunneling Splitting. In Vibronic Interactions and the Jahn-Teller Effect; Springer: Netherlands, 2012; Vol. 23, p 6.
25. Baird, L. J.; Black, C. A.; Blackman, A. G. Polyhedron 2007, 26, 378-384 10.1016/j.poly.2006.06.018
26. Hall, N. A.; Duboc, C.; Collomb, M. N.; Deronzier, A.; Blackman, A. G. Dalton Trans. 2011, 40, 12075-12082 10.1039/c1dt10627a
27. APEX-II; Bruker AXS Inc: Madison, WI, 2004.
28. SAINT; Bruker AXS Inc: Madison, WI, 2001.
29. Sheldrick, G. M. SADABS, Program for Absorption Correction, Program for Absorption Correction; University of Goettingen: Goettingen, Germany, 1996.
30. Altomare, A.; Burla, M. C.; Camalli, M.; Cascarano, G. L.; Giacovazzo, C.; Guagliardi, A.; Moliterni, A. G. G.; Polidori, G.; Spagna, R. J. Appl. Crystallogr. 1999, 32, 115-119 10.1107/S0021889898007717
31. Burla, M. C.; Caliandro, R.; Camalli, M.; Carrozzini, B.; Cascarano, G. L.; De Caro, L.; Giacovazzo, C.; Polidori, G.; Spagna, R. J. Appl. Crystallogr. 2005, 38, 381-388 10.1107/S002188980403225X
32. Farrugia, L. J. Appl. Crystallogr. 1999, 32, 837-838 10.1107/S0021889899006020
33. Sheldrick, G. M.; Schneider, T. R. Methods in Enzymology. In Macromol. Cryst. B 1997; Vol. 277, pp 319-343. 10.1016/S0076-6879(97)77018-6
34. Neese, F. Wiley Interdiscip. Rev. Comput. Mol. Sci. 2012, 2, 73-78 10.1002/wcms.81
35. Perdew, J. P. Phys. Rev. B: Condens. Matter Mater. Phys. 1986, 33, 8822-8824 10.1103/PhysRevB.33.8822
36. Perdew, J. P. Phys. Rev. B: Condens. Matter Mater. Phys. 1986, 34, 7406-7406 10.1103/PhysRevB.34.7406
37. Becke, A. D. Phys. Rev. A: At., Mol., Opt. Phys. 1988, 38, 3098-3100 10.1103/PhysRevA.38.3098
38. Schäfer, A.; Huber, C.; Ahlrichs, R. J. Chem. Phys. 1994, 100, 5829-5835 10.1063/1.467146
39. Neese, F. J. Comput. Chem. 2003, 24, 1740-1747 10.1002/jcc.10318
40. Weigend, F. Phys. Chem. Chem. Phys. 2006, 8, 1057-1065 10.1039/b515623h
41. Becke, A. D. J. Chem. Phys. 1993, 98, 1372-1377 10.1063/1.464304
42. Lee, C. T.; Yang, W. T.; Parr, R. G. Phys. Rev. B: Condens. Matter Mater. Phys. 1988, 37, 785-789 10.1103/PhysRevB.37.785
43. Pantazis, D. A.; Neese, F. J. Chem. Theory Comput. 2009, 5, 2229-2238 10.1021/ct900090f
44. Pantazis, D. A.; Chen, X. Y.; Landis, C. R.; Neese, F. J. Chem. Theory Comput. 2008, 4, 908-919 10.1021/ct800047t
45. Hartshorn, R. M.; House, D. A. J. Chem. Soc., Dalton Trans. 1998, 2577-2588 10.1039/a802519c
46. Spek, A. Acta Crystallogr., Sect. D: Biol. Crystallogr. 2009, 65, 148-155 10.1107/S090744490804362X
47. Bersuker, I. B. Chem. Rev. 2013, 113, 1351-1390 10.1021/cr300279n