Molecular and electronic structure of cyclic trinuclear gold(I) Carbeniate complexes: Insights for structure/luminescence/conductivity relationships

Inorganic Chemistry

Volumn 53, Issue 14, 2014, Pages 7485-7499

  McDougald, Roy N ^a   Chilukuri, Bhaskar ^a   Jia, Huiping ^b   Perez, Michael R ^b   Rabaâ, Hassan ^c   Wang, Xiaoping ^a,d   Nesterov, Vladimir N ^a   Cundari, Thomas R ^a   Gnade, Bruce E ^b   Omary, Mohammad A ^a  

^a UNIVERSITY OF NORTH TEXAS   (United States)

^b The University of Texas at Dallas   (United States)

^c IBN TOFAIL UNIVERSITY   (Morocco)

^d OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84904652134     PISSN: 00201669     EISSN: 1520510X     Source Type: Journal    
DOI: 10.1021/ic500808q     Document Type: Article

References (82)

1. Cotton, F. A., Wilkinson, G., Murrillo, C. A., and Bochmann, M. In Advanced Inorganic Chemistry; Wiley-Interscience: New York, 1999; Chapter 18.
2. Shriver, D. F., Kaesz, H. D., and Adams, R. D. The Chemistry of Metal Clusters Complexes; VCH Publishers, Inc.: New York. 1990.
3. Yang, X.; Zheng, Z.; Knobler, C. B.; Hawthorne, M. F. J. Am. Chem. Soc. 1993, 115, 193-195
4. Ehlert, M. K.; Rettig, S. J.; Storr, A.; Thompson, R. C.; Trotter, J. Can. J. Chem. 1990, 68, 1444-1449
5. Raptis, R. G.; Fackler, J. P. Inorg. Chem. 1988, 27, 4179-4182
6. Sartori, P.; Golloch, A. Chem. Ber. 1968, 101, 2004-2009
7. Cundari, T. R.; Chilukuri, B.; Hudson, J. M.; Minot, C.; Omary, M. A.; Rabaâ, H. Organometallics 2010, 29, 795-800
8. Dias, H. V. R.; Diyabalanage, H. V. K.; Eldabaja, M. G.; Elbjeirami, O.; Rawashdeh-Omary, M. A.; Omary, M. A. J. Am. Chem. Soc. 2005, 127, 7489-7501
9. Omary, M. A.; Rawashdeh-Omary, M.; Gonser, M. W. A.; Elbjeirami, O.; Grimes, T.; Cundari, T. R.; Diyabalanage, H. V. K.; Gamage, C. S. P.; Dias, H. V. R. Inorg. Chem. 2005, 44, 8200-8210
10. Yang, C.; Messerschmidt, M.; Coppens, P.; Omary, M. A. Inorg. Chem. 2006, 45, 6592-6594
11. Rawashdeh-Omary, M. A.; Rashdan, M. D.; Dharanipathi, S.; Elbjeirami, O.; Ramesh, P.; Dias, H. V. R. Chem. Commun. 2011, 47, 1160-1162
12. Elbjeirami, O.; Rawashdeh-Omary, M. A.; Omary, M. A. Res. Chem. Intermed. 2011, 37, 691-703
13. Forward, J. M.; Fackler, J. P., Jr.; Assefa, Z. Photophysical and Photochemical Properties of Gold(I) Complexes. In Optoelectronic Properties of Inorganic Compounds; Roundhill, D. M.; Fackler, J. P., Jr., Eds.; Plenum: New York, 1999, Chapter 6.
14. Omary, M. A.; Mohamed, A. A.; Rawashdeh-Omary, M. A.; Fackler, J. P., Jr. Coord. Chem. Rev. 2005, 249, 1372-1381
15. Tang, M. C.; Tsang, D. P. K.; Chan, M. M. Y.; Wong, K. M. C.; Yam, V. W. W. Angew. Chem. 2013, 125, 464
16. Angew. Chem., Int. Ed. 2013, 52, 446.
17. Fianchini, M.; Campana, C. F.; Chilukuri, B.; Cundari, T. R.; Petricek, V.; Dias, H. V. R. Organometallics 2013, 32, 3034-3041
18. Lintang, H. O.; Kinbara, K.; Yamashita, T.; Aida, T. Chem.-Asian J. 2012, 7, 2068-2072
19. Yang, G.; Raptis, R. G. Angew. Chem., Int. Ed. 2003, 42, 261-263.
20. Pyykkö, P. Chem. Rev. 1997, 97, 597-636
21. Pyykkö, P. Angew. Chem., Int. Ed. 2004, 43, 4412-4456
22. Pyykkö, P. Inorg. Chim. Acta 2005, 358, 4113-4130
23. Mendizabal, F.; Reyes, D.; Olea-Azar, C. Int. J. Quantum Chem. 2006, 106 (4) 906-912
24. Mendizabal, F.; Salazar, R. J. Mol. Model. 2013, 19, 1973-1979
25. Rodríguez-Castillo, M.; Monge, M.; López-de-Luzuriaga, J. M.; Elena Olmos, M.; Laguna, A.; Mendizabal, F. Comp. Theor. Chem. 2011, 965, 163-167
26. Burgos, D.; Olea-Azar, C.; Mendizabal, F. J. Mol. Model. 2012, 18, 2021-2029
27. Vickery, J. C.; Olmstead, M. M.; Fung, E. Y.; Balch, A. L. Angew. Chem., Int. Ed. 1997, 36, 1179-1181
28. White-Morris, R.; Olmstead, M. M.; Attar, S.; Balch, A. L. Inorg. Chem. 2005, 44, 5021-5029
29. Winkler, K.; Wysocka-Zolopa, M.; Recko, K.; Dobrzynski, L.; Vickery, J. C.; Balch, A. L. Inorg. Chem. 2009, 48, 1551-1558
30. Ni, W.; Li, M.; Zheng, J.; Qiu, Y.; Ng, S. W.; Li, D. Angew. Chem., Int. Ed. 2013, 52, 13472-13476
31. Schmidbaur, H.; Graf, W.; Müller, G. Angew. Chem., Int. Ed. Engl. 1988, 27, 417-419
32. Harwell, D. E.; Mortimer, M. D.; Knobler, C. B.; Anet, F. A. L. J. Am. Chem. Soc. 1996, 118, 2679-2685
33. Vickery, J. C.; Balch, A. L. Inorg. Chem. 1997, 36, 5978-5983
34. Schmidbaur, H. Nature. 2001, 413, 31-33
35. Panthanemi, S. S.; Desiraju, G. R. J. Chem. Soc., Dalton Trans. 1993, 319-322
36. Schmidbaur, H.; Schier, A. Chem. Soc. Rev. 2012, 41, 370-412
37. Olmstead, M. M.; Jiang, F.; Attar, S.; Balch, A. L. J. Am. Chem. Soc. 2001, 123, 3260-3267
38. Fung, E. Y.; Olmstead, M. M.; Vickery, J. C.; Balch, A. L. Coord. Chem. Rev. 1998, 171, 151-159
39. Gliemann, G.; Holzapfel, W.; Yersin, H. J. Phys. (Fr.) 1985, 46 (Suppl. C) 7-129
40. Gliemann, G.; Yersin, H. Struct. Bonding (Berlin, Ger.) 1985, 62, 87
41. Yersin, H.; Gliemann, G. Ann. N.Y. Acad. Sci. 1978, 313, 539
42. Allen, F. Acta Crystallogr. 2002, 58, 380-388
43. Grimes, T.; Omary, M. A.; Dias, H. V. R.; Cundari, T. R. J. Phys. Chem. A 2006, 110, 5823-5830
44. Chilukuri, B.; Cundari, T. R. J. Phys. Chem. C 2011, 115, 5997-6003
45. Chilukuri, B.; Cundari, T. R. Surf. Sci. 2012, 606, 1100-1107
46. Bartolomé, C.; Carrasco-Rando, M.; Coco, S.; Cardovilla, C.; Espinet, P.; Martín-Alvarez, J. M. Organometallics 2006, 25, 2700-2703
47. Tiripicchio, A.; Camellini, M. T.; Minghetti, G. J. Organomet. Chem. 1979, 171, 399-406
48. Bao, G.; Locklin, J. In Organic Field-Effect Transistors; CRC Press: Boca Raton, 2007; Section 1.1.
49. Brédas, J. L.; Beljonne, D.; Coropceanu, V.; Cornil, J. Chem. Rev. 2004, 104, 4971-5003
50. Cornil, J.; Calbert, J. P.; Brédas, J. L. J. Am. Chem. Soc. 2001, 123, 1250-1251
51. Brédas, J. L.; Cornil, J.; da, D. A.; Filho, S. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 5804-5809
52. Cornil, J.; Beljonne, D.; Calbert, J. P.; Brédas, J. L. Adv. Mater. 2001, 13, 1053-1067
53. Mas-Torrent, M.; Hadley, P.; Bromley, S. T.; Ribas, X.; Tarrés, J.; Mas, M.; Molins, E.; Veciana, J.; Rovira, C. J. Am. Chem. Soc. 2004, 126, 8546-8553
54. Bromley, S. T.; Mas-Torrent, M.; Hadley, P.; Rovira, C. J. Am. Chem. Soc. 2004, 126, 6544-6545
55. Marcus, R. A. Rev. Mod. Phys. 1993, 65, 599-610
56. Marcus, R. A. J. Chem. Phys. 1956, 24, 966-988
57. Marcus, R. A.; Sutin, N. Biochim. Biophys. Acta 1985, 811, 265-322
58. Delgado, M. C.; Pigg, K. R.; da, S. F.; Gruhn, N. E.; Sakamoto, Y.; Suzuki, T.; Osuna, R. M.; Casado, J.; Hernández, V.; Navarrete, J. T. L.; Martinelli, N. G.; Cornil, J.; Sánchez-Carrera, R. S.; Coropceanu, V.; Brédas, J. L. J. Am. Chem. Soc. 2009, 131, 1502-1512
59. Chen, H.; Chao, I. Chem. Phys. Lett. 2005, 401, 539-545
60. Zhu, L.; Coropceanu, V.; Yi, Y.; Chilukuri, B.; Cundari, T. R.; Brédas, J.-L. J. Phys. Chem. Lett. 2013, 4, 2186-2189
61. Kresse, G.; Furthmüller, J. Comput. Mater. Sci. 1996, 6, 15-50
62. Kresse, G.; Furthmüller, J. Phys. Rev. B 1996, 54, 11169-11186
63. Kresse, G.; Joubert, D. Phys. Rev. B 1999, 59, 1758-1775
64. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868
65. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188-5192
66. Frisch, M. J.; Gaussian 09, Revision A.1; Gaussian, Inc.: Wallingford, CT, 2009.
67. Hay, P.; Wadt, W. J. Chem. Phys. 1985, 82, 270-310
68. Barakat, K. A.; Cundari, T. R.; Rabaâ, H.; Omary, M. A. J. Phys. Chem. B 2006, 110, 14645-14651
69. Zhao, Y.; Truhlar, D. Theor. Chem. Acc. 2008, 120, 215-241
70. Pyykkö, P.; Mendizabal, F. Inorg. Chem. 1998, 37, 3018-3025
71. Couty, M.; Hall, M. B. J. Comput. Chem. 1996, 17, 1359-1370
72. Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623-11627
73. Becke, A. D. Phys. Rev. A 1988, 38, 3098-3100
74. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789
75. Møller, C.; Plesset, M. S. Phys. Rev. 1934, 46, 618-622
76. Schuster, R. E.; Scott, J. E.; Casanova, J. J. Org. Synth. 1966, 46, 75-77
77. Usón, R.; Laguna, A. Organometallic Syntheses; King, R. B.; Eisch, J. J., Eds.; Elsevier: Amsterdam, 1986; Vol 3, p 322.
78. Parks, J. E.; Balch, A. L. J. Organomet. Chem. 1974, 71, 453-463
79. Bruker APEX2; Bruker AXS Inc.: Madison, WI, 2007.
80. Bruker SAINT; Bruker AXS Inc.: Madison, WI, 2007.
81. Bruker SADABS; Bruker AXS Inc.: Madison, WI, 2007.
82. Sheldrick, G. M. SHELXTL, v. 2008/3; Bruker Analytical X-ray: Madison, WI, 2008.