A trinuclear copper(II) cryptate and its μ 3-CO 3 cascade complex: Thermodynamics, structural and magnetic properties

Chemistry - A European Journal

Volumn 17, Issue 40, 2011, Pages 11193-11203

  Mateus, Pedro ^a   Delgado, Rita ^a,b   Lloret, Francesc ^c   Cano, Joan ^c   Brandão, Paula ^d   Félix, Vítor ^d  

^a INSTITUTO DE TECNOLOGIA QUÍMICA E BIOLÓGICA   (Portugal)

^b INSTITUTO SUPERIOR TÉCNICO   (Portugal)

^c UNIVERSITY OF VALENCIA   (Spain)

^d UNIVERSITY OF AVEIRO   (Portugal)

Author keywords

carbon dioxide fixation; cryptands; density functional calculations; magnetic properties; N ligands

Indexed keywords

ATMOSPHERIC CO; CARBON DIOXIDE FIXATION; CARBONATE ANION; COORDINATED WATER; COPPER COMPLEXES; COPPER IONS; CRYPTANDS; DENSITY-FUNCTIONAL CALCULATIONS; EQUILATERAL TRIANGLES; HYDROXO COMPLEXES; INTRAMOLECULAR INTERACTIONS; MACROBICYCLE; MAGNETIC DATA; MAGNETOSTRUCTURAL CORRELATIONS; METAL CENTRES; N LIGANDS; PH VALUE; POTENTIOMETRIC STUDY; PYRIDYL; SQUARE PLANAR GEOMETRY; STRUCTURAL AND MAGNETIC PROPERTIES; TRINUCLEAR COMPLEX;

CARBON DIOXIDE; CARBONATION; CONFORMATIONS; COPPER; DENSITY FUNCTIONAL THEORY; FERROMAGNETIC MATERIALS; FERROMAGNETISM; GEOMETRY; IONIC STRENGTH; MAGNETIC COUPLINGS; MAGNETIC PROPERTIES; THERMODYNAMICS;

COPPER COMPOUNDS;

COPPER; CROWN ETHER; LIGAND; ORGANOMETALLIC COMPOUND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MAGNETISM; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

COPPER; CROWN ETHERS; CRYSTALLOGRAPHY, X-RAY; LIGANDS; MAGNETICS; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; THERMODYNAMICS;

EID: 80052925162     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201101372     Document Type: Article

References (108)

1. J. Yoon, E. I. Solomon, Coord. Chem. Rev. 2007, 251, 379-400.
2. W. B. Tolman, J. Biol. Inorg. Chem. 2006, 11, 261-271.
3. L. K. Thompson, Coord. Chem. Rev. 2002, 233-234, 193-206
4. S. Ferrer, F. Lloret, I. Bertomeu, G. Alzuet, J. Borrás, S. García-Granda, M. Liu-González, J. G. Hasnoot, Inorg. Chem. 2002, 41, 5821-5830.
5. A. E. Martell, R. J. Motekaitis, J. Am. Chem. Soc. 1988, 110, 8059-8064
6. R. J. Motekaitis, A. E. Martell, Inorg. Chem. 1991, 30, 694-700
7. L. Fabbrizzi, P. Pallavicini, L. Parodi, A. Taglietti, Inorg. Chim. Acta 1995, 238, 5-8
8. Q. Lu, J. J. Reibenspies, A. E. Martell, R. J. Motekaitis, Inorg. Chem. 1996, 35, 2630-2636
9. L. Fabbrizzi, I. Faravelli, G. Francese, M. Licchelli, A. Perotti, A. Taglietti, Chem. Commun. 1998, 971-972
10. C. Bazzicalupi, A. Bencini, A. Bianchi, V. Fusi, E. García- España, C. Giorgi, J. M. Llinares, J. A. Ramirez, B. Valtancoli, Inorg. Chem. 1999, 38, 620-621
11. L. Fabbrizzi, A. Leone, A. Taglietti, Angew. Chem. 2001, 113, 3156-3159
12. Angew. Chem. Int. Ed. 2001, 40, 3066-3069
13. L. Fabbrizzi, N. Marcotte, F. Stomeo, A. Taglietti, Angew. Chem. 2002, 114, 3965-3968
14. Angew. Chem. Int. Ed. 2002, 41, 3811-3814
15. N. Marcotte, A. Taglietti, Supramol. Chem. 2003, 15, 617-625
16. S. Carvalho, C. Cruz, R. Delgado, M. G. B. Drew, V. Félix, Dalton Trans. 2003, 4261-4270
17. M. Boiocchi, M. Bonizzoni, L. Fabbrizzi, G. Piovani, A. Taglietti, Angew. Chem. 2004, 116, 3935-3940
18. Angew. Chem. Int. Ed. 2004, 43, 3847-3852
19. M. Bonizzoni, L. Fabbrizzi, G. Piovani, A. Taglietti, Tetrahedron 2004, 60, 11159-11162
20. F. Li, R. Delgado, V. Félix, Eur. J. Inorg. Chem. 2005, 4550-4561
21. B. Verdejo, J. Aguilar, A. Doménech, C. Miranda, P. Navarro, H. R. Jiménez, C. Soriano, E. García-España, Chem. Commun. 2005, 3086-3088
22. L. Fabbrizzi, F. Foti, A. Taglietti, Org. Lett. 2005, 7, 2603-2606
23. M. Boiocchi, M. Bonizzoni, A. Moletti, D. Pasini, A. Taglietti, New J. Chem. 2007, 31, 352-356
24. S. Carvalho, R. Delgado, M. G. B. Drew, V. Félix, M. Figueira, R. T. Henriques, Polyhedron 2008, 27, 679-687.
25. J. Comarmond, B. Dietrich, J.-M. Lehn, R. Louis, J. Chem. Soc. Chem. Commun. 1985, 74-76
26. A. Bencini, A. Bianchi, E. García-España, M. Micheloni, P. Paoletti, Inorg. Chem. 1988, 27, 176-180
27. H. Adams, N. A. Bailey, M. J. S. Dwyer, D. E. Fenton, P. C. Hellier, P. D. Hempstead, J. M. Latour, J. Chem. Soc. Dalton Trans. 1993, 1207-1216
28. M. P. Suh, M. Y. Han, J. H. Lee, K. S. Min, C. Hyeon, J. Am. Chem. Soc. 1998, 120, 3819-3820
29. M. del Fernández-Fernández, R. Bastida, A. Macías, P. Pérez-Lourido, L. Valencia, Cryst. Growth Des. 2008, 8, 3924-3926
30. B. Verdejo, S. Blasco, J. González, E. García-España, P. Gaviña, S. Tatay, A. Doménech, M. T. Doménech- Carbõ, H. R. Jiménez, C. Soriano, Eur. J. Inorg. Chem. 2008, 84-97
31. A. González-Alvarez, I. Alfonso, J. Cano, P. Díaz, V. Gotor, V. Gotor-Fernández, E. García-España, S. García-Granda, H. R. Jiménez, F. Lloret, Angew. Chem. 2009, 121, 6171-6174
32. Angew. Chem. Int. Ed. 2009, 48, 6055-6058.
33. Q.-Y. Chen, Z.-Q. Pan, Q.-H. Luo, L.-M. Zhen, X.-L. Hu, Z.-L. Wang, Z-Y. Zhou, C.-H. Yeung, J. Chem. Soc. Dalton Trans. 2002, 1315-1318.
34. P. Mateus, R. Delgado, P. Brandão, V. Félix, J. Org. Chem. 2009, 74, 8638-8646.
35. N. F. Curtis, R. W. Hay, Y. M. Curtis, J. Chem. Soc. A 1968, 182-187
36. G. Kolks, S. J. Lippard, J. V. Waszczak, J. Am. Chem. Soc. 1980, 102, 4832-4833
37. C. Bazzicalupi, A. Bencini, A. Bianchi, V. Fusi, P. Paoletti, B. Valtancoli, J. Chem. Soc. Chem. Commun. 1995, 1555-1556
38. A. Escuer, R. Vicente, E. Peñalba, X. Solans, M. Font-Bardía, Inorg. Chem. 1996, 35, 248-251
39. C. Bazzicalupi, A. Bencini, A. Bencini, A. Bianchi, F. Corana, V. Fusi, C. Giorgi, P. Paoli, P. Paoletti, B. Valtancoli, C. Zanchini, Inorg. Chem. 1996, 35, 5540-5548
40. J. Springborg, J. Glerup, I. Søtofte, Acta Chem. Scand. 1997, 51, 832-838
41. S. Yan, J. Cui, X. Liu, P. Cheng, D. Liao, Z. Jiang, G. Wang, H. Wang, X. Yao, Sci. China Ser. A 1999, 42, 535-542
42. G. A. van Albada, I. Mutikainen, O. S. Roubeau, U. Turpeinen, J. Reedijk, Eur. J. Inorg. Chem. 2000, 2179-2184
43. Z.-W. Mao, G. Liehr, R. van Eldik, J. Chem. Soc. Dalton Trans. 2001, 1593-1600
44. G. A. vanAlbada, I. Mutikainen, O. Roubeau, U. Turpeinen, J. Reedijk, Inorg. Chim. Acta 2002, 331, 208-215
45. M. Rodríguez, A. Llobet, M. Corbella, P. Müller, M. A. Usõn, A. E. Martell, J. Reibenspies, J. Chem. Soc. Dalton Trans. 2002, 2900-2906
46. W. Huang, P.-Y. Sun, J.-L. Fang, Y.-F. Sun, S.-H. Gou, Transition Met. Chem. 2003, 28, 925-929
47. J. Mukherjee, R. Gupta, T. Mallah, R. Mukherjee, Inorg. Chim. Acta 2005, 358, 2711-2717
48. J. Mukherjee, V. Balamurugan, M. S. Hundal, R. Mukherjee, J. Chem. Sci. 2005, 117, 111-116
49. A. Majumder, C. R. Choudhury, S. Mitra, G. M. Rosair, M. S. El Fallah, J. Ribas, Chem. Commun. 2005, 2158-2160
50. D. Hu, L. Chen, Z.-Q. Pan, H. Liu, X.-G. Meng, Y. Song, J. Coord. Chem. 2008, 61, 1973-1982.
51. J.-M. Chen, W. Wei, X.-L. Feng, T.-B. Lu, Chem. Asian J. 2007, 2, 710-719.
52. F. H. Allen, Acta Crystallogr. Sect. B 2002, 58, 380-388.
53. M. Kato, T. Ito, Inorg. Chem. 1985, 24, 504-508
54. N. Kitajima, K. Fujisawa, T. Koda, S. Hikichi, Y. Moro-oka, J. Chem. Soc. Chem. Commun. 1990, 1357-1358
55. N. N. Murthy, K. O. Karlin, J. Chem. Soc. Chem. Commun. 1993, 1236-1238
56. N. Kitajima, S. Hikichi, M. Tanaka, Y. Moro-oka, J. Am. Chem. Soc. 1993, 115, 5496-5508
57. X.-M. Chen, Q.-Y. Deng, G. Wang, Y.-J. Xu, Polyhedron 1994, 13, 3085-3089
58. A. Escuer, R. Vicente, S. B. Kumar, X. Solans, M. Font-Bardía, A. Caneschi, Inorg. Chem. 1996, 35, 3094-3098
59. A. Schrodt, A. Neubrand, R. van Eldik, Inorg. Chem. 1997, 36, 4579-4584
60. A. Escuer, R. Vicente, S. B. Kumar, X. Solans, M. Font-Bardía, J. Chem. Soc. Dalton Trans. 1997, 403-407
61. Z.-W. Mao, F. W. Heinemann, G. Liehr, R. van Eldik, J. Chem. Soc. Dalton Trans. 2001, 3652-3662
62. X. Liang, J. A. Parkinson, S. Parsons, M. Weishäupl, P. J. Sadler, Inorg. Chem. 2002, 41, 4539-4547
63. H. Fu, W.-L. Chen, D.-G. Fu, M.-L. Tong, X.-M. Chen, L.-N. Ji, Z.-W. Mao, Inorg. Chem. Commun. 2004, 7, 1285-1288
64. L.-Y. Kong, H.-F. Zhu, Y.-Q. Huang, T.-A. Okamura, X.-H. Lu, Y. Song, G.-X. Liu, W.-Y. Sun, N. Ueyama, Inorg. Chem. 2006, 45, 8098-8107
65. D. E. Janzen, M. E. Botros, D. G. VanDerveer, G. J. Grant, Dalton Trans. 2007, 5316-5321
66. J. Notni, S. Schenk, H. Görls, H. Breitzke, E. Anders, Inorg. Chem. 2008, 47, 1382-1390
67. P. Mukherjee, M. G. B. Drew, M. Estrader, A. Ghosh, Inorg. Chem. 2008, 47, 7784-7791
68. J. C. Anderson, A. J. Blake, R. B. Moreno, G. Raynel, J. van Slageren, Dalton Trans. 2009, 9153-9156
69. H. Ke, L. Zhao, G.-F. Xu, Y.-N. Guo, J. Tang, X.-Y. Zhang, H.-J. Zhang, Dalton Trans. 2009, 10609-10613.
70. R. Menif, J. Reibenspies, A. E. Martell, Inorg. Chem. 1991, 30, 3446-3454
71. B. Kersting, Angew. Chem. 2001, 113, 4109-4112
72. Angew. Chem. Int. Ed. 2001, 40, 3987-3990
73. Y. Dussart, C. Harding, P. Dalgaard, C. McKenzie, R. Kadirvelraj, V. McKee, J. Nelson, J. Chem. Soc. Dalton Trans. 2002, 1704-1713
74. B. Verdejo, J. Aguilar, E. García-España, Inorg. Chem. 2006, 45, 3803-3815
75. A. Company, J.-E. Jee, X. Ribas, J. M. Lopez-Valbuena, L. Gõmez, M. Corbella, A. Llobet, J. Mahía, J. Bene, t Buchholz, M. Costas, R. van Eldik, Inorg. Chem. 2007, 46, 9098- 9110.
76. D. W. Christianson, C. A. Fierke, Acc. Chem. Res. 1996, 29, 331-339.
77. K. Nakamoto, Infrared Spectra of Inorganic and Coordination Compounds, 4th ed., Wiley-Interscience, New York, 1986.
78. D. L. Lewis, E. D. Estes, D. J. Hodgson, J. Cryst. Mol. Struct. 1975, 5, 67-74
79. B. J. Hathaway, A. E. Underhill, J. Chem. Soc. 1963, 4586-4589.
80. R. Boča, Coord. Chem. Rev. 2004, 248, 757-815
81. F. E. Mabbs, D. Collison, Electron Paramagnetic Resonance of d Transition Metal Compounds, Elsevier, Amsterdam, 1992, pp. 605-715.
82. F. S. Delgado, F. Lahoz, F. Lloret, M. Julve, C. Ruiz-Perez, Cryst. Growth Des. 2008, 8, 3219-3232
83. J. Pasan, J. Sanchiz, C. Ruiz-Perez, J. Campo, F. Lloret, M. Julve, Chem. Commun. 2006, 2857-2859
84. J. Pasan, J. Sanchiz, C. Ruiz-Perez, F. Lloret, M. Julve, New J. Chem. 2003, 27, 1557-1562
85. F. S. Delgado, J. Sanchiz, C. Ruiz-Perez, F. Lloret, M. Julve, Inorg. Chem. 2003, 42, 5938-5948
86. J. Pasan, F. S. Delgado, Y. Rodriguez-Martin, M. Hernandez-Molina, C. Ruiz-Perez, J. Sanchiz, F. Lloret, M. Julve, Polyhedron 2003, 22, 2143-2153
87. C. Ruiz-Perez, J. Sanchiz, M. H. Molina, F. Lloret, M. Julve, Inorg. Chem. 2000, 39, 1363-1370.
88. D. Armentano, N. Marino, T. F. Mastropietro, J. Martinez-Lillo, J. Cano, M. Julve, F. Lloret, G. De Munno, Inorg. Chem. 2008, 47, 10229-10231
89. J. Sertucha, A. Luque, O. Castillo, P. Roman, F. Lloret, M. Julve, Inorg. Chem. Commun. 1999, 2, 14-16.
90. K. J. Wallace, R. Hanes, E. V. Anslyn, J. Morey, K. V. Kilway, J. Siegel, Synthesis 2005, 2080-2083
91. N. W. Alcock, R. G. Kingston, P. Moore, C. Pierpoint, J. Chem. Soc. Dalton Trans. 1984, 1937-1943.
92. D. D. Perrin, W. L. F. Armarego, Purification of Laboratory Chemicals, 3rd. ed., Pergamon, Oxford, 1988, p. 217.
93. P. Mateus, R. Delgado, P. Brandão, S. Carvalho, V. Félix, Org. Biomol. Chem. 2009, 7, 4661-4673.
94. F. J. Rossotti, H. J. Rossotti, J. Chem. Educ. 1965, 42, 375-378.
95. P. Gans, A. Sabatini, A. Vacca, Talanta 1996, 43, 1739-1753.
96. L. Alderighi, P. Gans, A. Ienco, D. Peters, A. Sabatini, A. Vacca, Coord. Chem. Rev. 1999, 184, 311-318.
97. G. M. Sheldrick, Acta Crystallogr. Sect. A 2008, 64, 112-122.
98. The Pymol Molecular Graphics System, W. L. Delano, 2002,.
99. A. D. Becke, Phys. Rev. A 1988, 38, 3098-3100
100. C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785-789
101. A. D. Becke, J. Chem. Phys. 1993, 98, 5648-5652.
102. A. Schaefer, A. Horn, R. Ahlrichs, J. Chem. Phys. 1992, 97, 2571-2577
103. A. Schaefer, C. Huber, R. Ahlrichs, J. Chem. Phys. 1994, 100, 5829-5835.
104. Gaussian 09, 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, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, D. J. Fox, Gaussian, Inc., Wallingford, CT, 2009.
105. E. Ruiz, J. Cano, S. Alvarez, P. Alemany, J. Am. Chem. Soc. 1998, 120, 11122-11129
106. E. Ruiz, J. Cano, S. Alvarez, P. Alemany, J. Comput. Chem. 1999, 20, 1391-1400
107. E. Ruiz, A. Rodríguez-Fortea, J. Cano, S. Alvarez, P. Alemany, J. Comput. Chem. 2003, 24, 982-989
108. E. Ruiz, J. Cano, S. Alvarez, V. Polo, J. Phys. Chem. B 2006, 110, 115-118.