Theoretical study of organic molecules containing N or S atoms as receptors for Hg(II) fluorescent sensors

Synthetic Metals

Volumn 162, Issue 7-8, 2012, Pages 641-649

  Yan, Ming Kuan ^a   Zheng, Chao ^a   Yin, Jun ^a   An, Zhong Fu ^a   Chen, Run Feng ^a   Feng, Xiao Miao ^a   Song, Juan ^a   Fan, Qu Li ^a   Huang, Wei ^a  

^a NANJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

Binding ability; Binding site; DFT; Fluorescent sensor; Hg receptors

Indexed keywords

BINDING ABILITIES; COORDINATION BEHAVIOR; DFT; DFT CALCULATION; FLUORESCENT SENSORS; HETEROCYCLIC COMPOUND; INTERACTION ENERGIES; LIGAND-TO-METAL CHARGE TRANSFERS; MOLECULAR DESIGN; OPTIMIZED STRUCTURES; ORGANIC MOLECULES; ORGANIC RECEPTORS; SPATIAL HINDRANCE; THEORETICAL STUDY;

ATOMS; BINDING ENERGY; BINDING SITES; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; FLUORESCENCE; METAL COMPLEXES; MOLECULAR ORBITALS; ORGANIC COMPOUNDS; SENSORS;

MERCURY (METAL);

EID: 84862819954     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.synthmet.2011.11.003     Document Type: Article

References (36)

1. E.M. Nolan, and S.J. Lippard Chem. Rev. 108 2008 3443 3480
2. A. Sanchez, and A. Walcarius Electrochim. Acta 55 2010 4201 4207
3. X.C. Fu, X. Chen, Z. Guo, L.T. Kong, J. Wang, J.H. Liu, and X.J. Huang Electrochim. Acta 56 2010 463 469
4. C.L. Fang, J. Zhou, X.J. Liu, Z.H. Cao, and D.H. Shangguan Dalton Trans. 40 2011 899 903
5. A. Mitra, A.K. Mittal, and C.P. Rao Chem. Commun. 47 2011 2565 2567
6. Q.Q. Zhang, J.F. Ge, Q.F. Xu, X.B. Yang, X.Q. Cao, N.J. Li, and J.M. Lu Tetrahedron Lett. 52 2011 595 597
7. Y. Takashima, V.M. Martinez, S. Furukawa, M. Kondo, S. Shimomura, H. Uehara, M. Nakahama, K. Sugimoto, and S. Kitagawa Nat. Commun. 2 2011
8. A.B. Descalzo, R. Martinez-Manez, R. Radeglia, K. Rurack, and J. Soto J. Am. Chem. Soc. 125 2003 3418 3419
9. Y.K. Yang, K.J. Yook, and J. Tae J. Am. Chem. Soc. 127 2005 16760 16761
10. E.M. Nolan, and S.J. Lippard J. Am. Chem. Soc. 129 2007 5910 5918
11. D. Svechkarev, B. Dereka, and A. Doroshenko J. Phys. Chem. A 115 2011 4223 4230
12. S.J. Liu, C. Fang, Q. Zhao, Q.L. Fan, and W. Huang Macromol. Rapid Commun. 29 2008 1212 1215
13. R.G. Pearson Hard and Soft Acids and Bases 1973 Dowden, Hutchinson and Ross Stroudsville, PA
14. Y.P. Zou, M.X. Wan, G.Y. Sang, M.F. Ye, and Y.F. Li Adv. Funct. Mater. 18 2008 2724 2732
15. E. Lukovskaya, A. Bobylyova, O. Fedorova, Y. Fedorov, S. Kardashev, A. Maksimov, A. Anisimov, F. Maurel, E. Marmois, G. Jonusauskas, Y. Didane, H. Brisset, and F. Fages Synth. Met. 157 2007 885 893
16. A.D. Becke J. Chem. Phys. 98 1993 5648 5652
17. C.T. Lee, W.T. Yang, and R.G. Parr Phys. Rev. B 37 1988 785 789
18. S.F. Boys, and F. Bernardi Mol. Phys. 100 2002 65 73
19. R.G. Parr, and W. Yang Density Functional Theory of Atoms and Molecules 1989 Oxford University Press New York
20. R.G. Parr, and P.K. Chattaraj J. Am. Chem. Soc. 113 1991 1854 1855
21. R.G. Parr, and J.L. Gazquez J. Phys. Chem. 97 1993 3939 3940
22. D. Singh, S. Ahmad, and P.P. Singh J. Mol. Struct. Theochem. 905 2009 13 23
23. J.L. Gazquez, and F. Mendez J. Phys. Chem. 98 1994 4591 4593
24. S. Krishnamurty, and S. Pal J. Phys. Chem. A 104 2000 7639 7645
25. R. Martinez, A. Espinosa, A. Tarraga, and P. Molina Tetrahedron 66 2010 3662 3667
26. M. Castro, J. Cruz, E. Otazo-Sanchez, and L. Perez-Marin J. Phys. Chem. A 107 2003 9000 9007
27. I. Fleming Frontier Orbitals and Organic Chemical Reactions 1978 Wiley London
28. M.M. El-Nahass, M.A. Kamel, A.F. El-Deeb, A.A. Atta, and S.Y. Huthaily Spectrochim. Acta A 79 2011 1499 1504
29. K. Dedachi, T. Hirakawa, S. Fujita, M.T.H. Khan, I. Sylte, and N. Kurita J. Comput. Chem. 32 2011 3047 3057
30. G.A. Hudson, L. Cheng, J.M. Yu, Y. Yan, D.J. Dyer, M.E. Mccarroll, and L.C. Wang J. Phys. Chem. B 114 2010 870 876
31. R.G. Pearson Inorg. Chem. 27 1988 734 740
32. P. Geerlings, and F. De Proft Int. J. Quantum Chem. 80 2000 227 235
33. F. Mendez, and J.L. Gazquez J. Am. Chem. Soc. 116 1994 9298 9301
34. J. Ruiz, N. Cutillas, M. Dolores Villa, G. Lopez, A. Espinosa, and D. Bautista Dalton Trans. 2009 9637 9644
35. J. Ruiz, V. Rodriguez, C. de Haro, A. Espinosa, J. Perez, and C. Janiak Dalton Trans. 39 2010 3290 3301
36. H. Helten, S. Fankel, O. Feier-Iova, M. Nieger, A. Espinosa Ferao, and R. Streubel Eur. J. Inorg. Chem. 2009 3226 3237