Quantum chemical study of a new class of sensitisers: influence of the substitution of aromatic rings on the properties of copper complexes

References

• A. Kokorin, Ionic Liquids: Theory, Properties, New Approaches (InTech, Rijeka, 2011).
   Google Scholar
• H. Choi, H. Gong, J.Y. Park, and S. Hong, J. Mater. Sci. 48, 906 (2013).
   Web of Science ®Google Scholar
• P. Senthilkumar and P. Anbarasan, J. Mol. Model. 17, 49 (2011).
   PubMed Web of Science ®Google Scholar
• C. Dragonetti, A. Valore, A. Colombo, D. Roberto, V. Trifiletti, N. Manfredi, M.M. Salamone, R. Ruffo, and A. Abbotto, J. Organomet. Chem. 714, 88 (2012).
   Web of Science ®Google Scholar
• M. Katono, T. Bessho, M. Wielopolski, M. Marszalek, J.E. Moser, R. Humphry-Baker, S.M. Zakeeruddin, and M. Gräetzel, J. Phys. Chem. C 116, 16876 (2012).
   Web of Science ®Google Scholar
• T. Heera and L. Cindrella, J. Mol. Model 16, 523 (2010).
   PubMed Web of Science ®Google Scholar
• P. Surawatanawong, A.K. Wójcik, and S. Kiatisevi, J. Photochem. Photobiol. A: Chem. 253, 62 (2013).
   Web of Science ®Google Scholar
• K.D. Seo, H.M. Song, M.J. Lee, M. Pastore, C. Anselmi, F. De Angelis, M.K. Nazeeruddin, M. Gräetzel, and H.K. Kim, Dyes Pigments 90, 304 (2011).
   Web of Science ®Google Scholar
• A. Irfan, A. Al-Sehemi, and A. Asiri, J. Mol. Model 18, 3609 (2012).
   PubMed Web of Science ®Google Scholar
• N. Alonso-Vante, J.F. Nierengarten, and J.P. Sauvage, J. Chem. Soc., Dalton Trans. 1649 (1994).
   Google Scholar
• J. Deng, Q. Xiu, L. Guo, L. Zhang, G. Wen, and C. Zhong, J. Mat. Sci. 47, 3383 (2012).
   Web of Science ®Google Scholar
• B. Bozic-Weber, E.C. Constable, and C.E. Housecroft, Coord. Chem. Rev. (2013), <http://dx.doi.org/10.1016/j.ccr.2013.05.019>.
   Google Scholar
• M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, 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, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople, ;,Gaussian 09 Revision A.1 (Gaussian Inc., Wallingford, CT, 2009).
   Google Scholar
• P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
   Web of Science ®Google Scholar
• W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 (1965).
   Web of Science ®Google Scholar
• R. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1994).
   Google Scholar
• R.E. Stratmann, G.E. Scuseria, and M.J. Frisch, J. Chem. Phys. 109, 8218 (1998).
   Web of Science ®Google Scholar
• K. Burke, J. Werschnik, and E.K.U. Gross, J. Chem. Phys. 123, 062206 (2005).
   PubMed Web of Science ®Google Scholar
• A.D. Becke, J. Chem. Phys. 98, 5648 (1993).
   Web of Science ®Google Scholar
• C. Adamo and V. Barone, J. Chem. Phys. 110, 6158 (1999).
   Web of Science ®Google Scholar
• Y. Zhao and D. Truhlar, Theor. Chem. Acc. 120, 215 (2008).
   Web of Science ®Google Scholar
• H. Schaefer, editor, Modern Theoretical Chemistry Series (Plenum Press, New York, 1976).
   Google Scholar
• C. Sosa, J. Andzelm, B.C. Elkin, E. Wimmer, K.D. Dobbs, and D.A. Dixon, J. Phys. Chem. 96, 6630 (1992).
   Web of Science ®Google Scholar
• V.A. Rassolov, M.A. Ratner, J.A. Pople, P.C. Redfern, and L.A. Curtiss, J. Comput. Chem. 22, 976 (2001).
   Web of Science ®Google Scholar
• K. Raghavachari, J.S. Binkley, R. Seeger, and J.A. Pople, J. Chem. Phys. 72, 650 (1980).
   Web of Science ®Google Scholar
• S.I. Gorelsky, Swizard program Revision 4.7 (University of Ottawa, Ottawa, Canada, 2012).
   Google Scholar
• J. Tomasi, B. Mennucci, and R. Cammi, Chem. Rev. 105, 2999 (2005).
   PubMed Web of Science ®Google Scholar
• J.L Gázquez, A. Cedillo, and A. Vela, J. Phys. Chem. A 111, 1966 (2007).
   PubMed Web of Science ®Google Scholar
• P.K. Chattaraj, A. Chakraborty, and S. Giri, J. Phys. Chem. A 113, 10068 (2009).
   PubMed Web of Science ®Google Scholar
• T. Bessho, E.C. Constable, M. Graetzel, A. Hernandez, C.E. Housecroft, W. Kylberg, Md.K. Nazeeruddin, M. Neuburgerb, and S. Schaffnerb, Chem. Commun. 2008, 3717 (2008).
   Web of Science ®Google Scholar
• J. Baldenebro-López, J. Castorena-González, N. Flores-Holguín, J. Almaral-Sánchez, and D. Glossman-Mitnik, Int. J. Mol. Sci. 13, 16005 (2012).
   PubMed Web of Science ®Google Scholar
• M. Green, Solar Cells: Operating Principles, Technology, and System Applications (Prentice-Hall, NJ, USA, 1982).
   Google Scholar
• E.C. Constable, N. Hostettler, C.E. Housecroft, P. Kopecky, M. Neuburger, and J.A. Zampese, Dalton Trans. 41, 2890 (2012).
   PubMed Web of Science ®Google Scholar
• S. Sakaki, T. Kuroki, and T. Hamada, J. Chem. Soc., Dalton Trans., 840 (2002).
   Google Scholar
• B. Bozic-Weber, E.C. Constable, C.E. Housecroft, M. Neuburger, and J.R. Price, Dalton Trans. 39, 3585 (2010).
   PubMed Web of Science ®Google Scholar
• X. Lu, S. Wei, C.M.L. Wu, S. Li, and W. Guo, J. Phys. Chem. C 115, 3753 (2011).
   Web of Science ®Google Scholar
• F. De Angelis, S. Fantacci, and A. Sgamellotti, Theor. Chem. Acc. 117, 1093 (2007).
   Web of Science ®Google Scholar
• C.I. Oprea, A. Dumbrava, I. Enache, A. Georgescu, and M.A. Gîrtu, J. Photochem. Photobiol. A: Chem. 240, 5 (2012).
   Web of Science ®Google Scholar
• Y. Xue, L. Zhang, Y. Li, D. Yu, Y. Zheng, L. An, X. Gong, and Y. Liu, J. Phys. Org. Chem. 26, 240 (2013).
   Web of Science ®Google Scholar
• M. Eryüreka, S.H. Bayari, D. Yüksel, and M.E. Hanhan, Comput. Theor. Chem. 1013, 109 (2013).
   Web of Science ®Google Scholar
• K. Akhtari, K. Hassanzadeh, B. Fakhraei, N. Fakhraei, H. Hassanzadeh, and S.A. Zarei, Comput. Theor. Chem. 1013, 123 (2013).
   Web of Science ®Google Scholar
• N.R. Sheela, S. Sampathkrishnan, M.T. Kumar, and S. Muthu, Spectroc. Acta Pt. A-Molec. Biomolec. Spectr. 112, 62 (2013).
   PubMed Web of Science ®Google Scholar