Synthesis, crystal, molecular and electronic structures of thiocyanate hydrido-carbonyl ruthenium(II) complexes with imidazole derivatives ligands

Polyhedron

Volumn 29, Issue 12, 2010, Pages 2489-2497

  Malecki J G ^a  

^a UNIVERSITY OF SILESIA   (Poland)

Author keywords

2,2 Bis(4,5 dimethylimidazolyl); 2 (2 Pyridyl)benzimidazole; Benzimidazole; DFT; Luminescence; Ruthenium hydridocarbonyl complexes; Ruthenium thiocyanate complexes; TD DFT; UV Vis; X ray structure

Indexed keywords

CHELATION; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; LIGANDS; RUTHENIUM COMPOUNDS; SYNTHESIS (CHEMICAL); ULTRAVIOLET VISIBLE SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

2,2′-BIS(4,5-DIMETHYLIMIDAZOLYL); 2-(2-PYRIDYL)BENZIMIDAZOLE; BENZIMIDAZOLES; DFT; PYRIDYL; RUTHENIUM HYDRIDOCARBONYL COMPLEX; RUTHENIUM THIOCYANATE COMPLEX; TD-DFT; THIOCYANATE COMPLEXES; UV-VIS; X-RAY STRUCTURE;

LUMINESCENCE;

EID: 77955419542     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2010.05.019     Document Type: Article

References (21)

1. A. Coleman, C. Brennan, G.J. Vos, and T.M. Pryce Coord. Chem. Rev. 252 2008 2585
2. M.J. Clark Coord. Chem. Rev. 236 2003 209
3. L. Vaska, and J.W. Diluzio J. Am. Chem. Soc. 83 1961 1262
4. M. Chandra, A.N. Sahay, D.S. Pandey, M.C. Puerta, and P. Valerga J. Organomet. Chem. 648 2002 39
5. A.K. Singh, P. Kumar, M. Yadav, and D.S. Pandey J. Organomet. Chem. 695 2010 567
6. S. Jasimuddin Transition Met. Chem. 31 2006 724
7. B.J. Coe, and S.J. Glenwright Coord. Chem. Rev. 203 2000 5
8. N. Ahmad, J.J. Levinson, S.D. Robinson, and M.F. Uttely Inorg. Synth. 15 1974 48
9. Gaussian 09, Revision A.1, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, 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, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian, Inc., Wallingford, CT, 2009.
10. A.D. Becke J. Chem. Phys. 98 1993 5648
11. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
12. M.E. Casida J.M. Seminario, Recent Developments and Applications of Modern Density Functional Theory, Theoretical and Computational Chemistry vol. 4 1996 Elsevier Amsterdam 391
13. K. Eichkorn, F. Weigend, O. Treutler, and R. Ahlrichs Theor. Chim. Acc. 97 1997 119
14. E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO (version 3.1).
15. N.M. O'Boyle, A.L. Tenderholt, and K.M. Langner J. Comput. Chem. 29 2008 839
16. Tenderholt, Adam L. QMForge, Version 2.1. Stanford University, Stanford, CA, USA.
17. ADF2009.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com.
18. O.V. Dolomanov, L.J. Bourhis, R.J. Gildea, J.A.K. Howard, and H. Puschmann J. Appl. Cryst. 42 2009 339
19. K.J. Morokuma Chem. Phys. 55 1971 1236
20. T. Ziegler, and A. Rauk Theor. Chim. Acta 46 1977 1
21. F.M. Bickelhaupt, E.J. Baerends, "Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry". In: K.B. Lipkowitz, D.B. Boyd, (Eds.), Rev. Comput. Chem., vol. 15, Wiley-VCH, New York, 2000, p. 1.