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salen bonds: see: (a) You, Z.-L.; Zhu, H.-L.; Liu, W.-S. Acta Crystallogr. 2004, E60, m805.
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salchda)Ru(OH2)2](PF6) ·H 2O: an orange solution of, salchda) Ru(N, PF6, 200 mg, 0.33 mmol) in acetone/H2O (50 mL, 4:1 v/v) was refluxed overnight. The resulting green solution was filtered and concentrated to ca. 5 mL. The green solid was filtered, washed with ice-cold H2O and diethyl ether, and then air-dried. Yield: 88, IR (KBr, cm-1, vP-f 835. Anal. Calcd for C20H24N2O4PF 6Ru · H2O: C, 38.72; H, 4.22; N, 4.51. Found: C, 38.35; H, 4.44; N, 4.75. ESI-MS: m/z, 458 M, Also see: Man, W.-L, Tang, T.-M, Wong, T.-W, Lau, T.-C, Peng, S.-M, Wong, W.-T. J. Am. Chem. Soc. 2004, 126, 478
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The existence of electronic communication between the two metal centers is demonstrated, as the metal centers display individual oxidation events. For recent similar examples, see: a
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The existence of electronic communication between the two metal centers is demonstrated, as the metal centers display individual oxidation events. For recent similar examples, see: (a) Cotton, F. A.; Liu, C. Y.; Murillo, C. A.; Zhao, Q. Inorg. Chem. 2006, 45, 9493.
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DFT calculations were performed using the Gaussian 03 program package: Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, J. A, Jr, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Li
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DFT calculations were performed using the Gaussian 03 program package: Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision D.01; Gaussian, Inc.: Wallingford, CT, 2004.
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Board of Regents of the University of Wisconsin System on behalf of the Theoretical Chemistry Institute
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