A diamagnetic dititanium(III) paddlewheel complex with no direct metal-metal bond

Inorganic Chemistry

Volumn 45, Issue 11, 2006, Pages 4328-4330

  Mendiratta, Arjun ^a   Cummins, Christopher C ^a   Cotton, F Albert ^b   Ibragimov, Sergey A ^b   Murillo, Carlos A ^b   Villagrán, Dino ^b  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^b TEXAS A AND M UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33745697751     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic0602650     Document Type: Article

References (23)

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2. Darensbourg, D. J.; Frost; B. J.; Larkins, D. L. Inorg. Chem. 2001, 40, 1993-1999.
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5. Mendiratta, A.; Cummins, C. C. Inorg. Chem. 2005, 44, 7319-7321.
6. 2 insertion is probably catalyzed by the free amine produced by hydrolysis, as has been reported in other instances. See, for example, ref 4.
7. Tsai, Y. C.; Stephens, F. H.; Meyer, K.; Mendiratta, A.; Gheorghiu, M. D.; Cummins, C. C. Organometallics 2003, 22, 2902-2913.
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11. Cotton, F. A.; Murillo, C. A.; Walton, R. A. Multiple Bonds Between Metal Atoms; Springer Science and Business Media, Inc.: New York, 2005.
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13. Magnetic susceptibility measurements of 1a, using a SQUID instrument, in the temperature range of 2-300 K confirmed that the compound is diamagnetic.
14. The DFT model was simplified to expedite the calculations by replacing all of the aryl groups with a hydrogen atom; similar simplifications in other systems have proved to be reasonable.
15. 2.
16. HS represent the total energy values of the broken-symmetry and high-spin DFT calculations, respectively. See: Soda, T.; Kitagawa, Y.; Onishi, T.; Takano, Y.; Shigeta, Y.; Nagao, H.; Yoshioka, Y.; Yamaguchi, K. Chem. Phys. Lett. 2000, 319, 223-230.
17. -1) used for diamagnetic compounds. See: Crutchley, R. J. Adv. Inorg. Chem. 1994, 41, 273-325.
18. In α HOMO: Til, 80.0%; Ti2, 0.6%. In β HOMO: Til, 0.6%; Ti2, 80.0%.
19. Ligand character in α and β HOMOs: 19.4%.
20. Molecular Magnetism; Kahn, O., Ed.; VCH: New York, 1993.
21. 4+ units that are diamagnetic and for which Ti-Ti bonds have been suggested. For example, see: (a) Cotton, F. A.; Wojtczak, W. A. Gazz. Chim. Ital. 1993, 123, 499-507.
22. (b) Hao, S.; Fegali, K.; Gambarotta, S. Inorg. Chem. 1997, 36, 1745-1748.
23. (c) Utko, J.; Pryzbylak, S.; Jersykiewicz, L. B.; Mierzwicki, K.; Latajka, Z.; Sobota, P. Inorg. Chem. 2003, 42, 267-269.