Cis-trans isomerism in cobalt(II) complexes with 3-hydroxypicolinic acid. Structural, DFT and thermal studies

Inorganica Chimica Acta

Volumn 363, Issue 8, 2010, Pages 1887-1896

  Kukovec, Boris Marko ^a   Kodrin, Ivan ^a   Mihalić, Zlatko ^a   Furić, Krešimir ^b   Popović, Zora ^a  

^a UNIVERSITY OF ZAGREB   (Croatia)

^b RUDER BO KOVI INSTITUTE   (Croatia)

Author keywords

3 Hydroxypicolinic acid; Cis trans isomers; Cobalt(II) complexes; DFT calculations; Thermal methods (TGA DTA); Weak intermolecular interactions

Indexed keywords

COMPLEXATION; CRYSTAL ORIENTATION; CRYSTALS; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; ISOMERS; MONOMERS; PLANTS (BOTANY); PYRIDINE; STEREOCHEMISTRY;

CIS-TRANS ISOMER; COBALT COMPLEXES; DFT CALCULATION; TGA/DTA; WEAK INTERMOLECULAR INTERACTIONS;

COBALT COMPOUNDS;

EID: 77950863051     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2010.02.010     Document Type: Article

References (55)

1. Kukovec B.-M., Popović Z., and Pavlović G. J. Coord. Chem. 61 (2008) 3092
2. Kukovec B.-M., Popović Z., and Pavlović G. Acta Chim. Slov. 55 (2008) 779
3. Kukovec B.-M., Vaz P.D., Popović Z., Calhorda M.J., Furić K., Pavlović G., and Rajić Linarić M. Cryst. Growth Des. 8 (2008) 3465
4. Kukovec B.-M., Popović Z., Kozlevčar B., and Jagličić Z. Polyhedron 27 (2008) 3631
5. Kukovec B.-M., Popović Z., Komorsky-Lovrić S., Vojković V., and Vinković M. Inorg. Chim. Acta 362 (2009) 2704
6. Kukovec B.-M., and Popović Z. J. Mol. Struct. 930 (2009) 121
7. Kiss E., Beneyi A., and Kiss T. Polyhedron 22 (2003) 27
8. Sun C., Zheng X., and Jin L. J. Mol. Struct. 646 (2003) 201
9. Nakai M., Sekiguchi F., Obata M., Ohtsuki C., Adachi Y., Sakurai H., Orvig C., Rehder D., and Yano S. J. Inorg. Biochem. 99 (2005) 1275
10. Shaver A., Ng J.B., Hall D.A., Lum B.S., and Posner B.I. Inorg. Chem. 32 (1993) 3109
11. Girginova P.I., Almeida Paz F.A., Nogueira H.I.S., Silva N.J.O., Amaral V.S., Klinowski J., and Trindade T. Polyhedron 24 (2005) 563
12. Şengül A., and Büyükgüngör O. Acta Crystallogr., Sect. C 61 (2005) m119
13. Quintal S.M.O., Nogueira H.I.S., Felix V., and Drew M.G.B. New J. Chem. 24 (2000) 511
14. Quintal S.M.O., Nogueira H.I.S., Carapuca H.M., Felix V., and Drew M.G.B. J. Chem. Soc., Dalton Trans. (2001) 3196
15. Gatto S., Gerber T.I.A., Bandoli G., Perils J., and Du Prez J.G.H. Inorg. Chim. Acta 269 (1998) 235
16. Soares-Santos P.C.R., Almeida Paz F.A., Sá Ferreira R.A., Klinowski J., Carlos L.D., Trindade T., and Nogueira H.I..S. Polyhedron 25 (2006) 2471
17. Sun C.Y., and Jin L.P. J. Mol. Struct. 741 (2005) 241
18. March R., Clegg W., Coxall R.A., Cucurull-Sánchez L., Lezama L., Rojo T., and González-Duarte P. Inorg. Chim. Acta 353 (2003) 129
19. Xu G.-H., Ma J.-F., Liu Y.-Y., and Li S.-L. Acta Crystallogr., Sect. C 62 (2006) m851
20. Rachford A.A., Petersen J.L., and Rack J.J. Inorg. Chem. 45 (2006) 5953
21. Hoare J.L., Cavell K.J., Hecker R., Skelton B.W., and White A.H. J. Chem. Soc., Dalton Trans. (1996) 2197
22. Leiva A., Clegg W., Cucurull-Sánchez L., González-Duarte P., and Pons J. J. Chem. Crystallogr. 29 (1999) 1097
23. Oxford Diffraction, CrysAlis CCD and CrysAlis RED, Versions 171.32.4. Oxford Diffraction Ltd., Abingdon, Oxfordshire, England, 2007.
24. Sheldrick G.M. Acta Crystallogr. Sect. A 64 (2008) 112
25. Spek A.L. J. Appl. Crystallogr. 36 (2003) 7
26. Farrugia L.J. J. Appl. Crystallogr. 30 (1997) 565
27. Macrae C.F., Edgington P.R., McCabe P., Pidcock E., Shields G.P., Taylor R., Towler M., and van de Streek J. J. Appl. Crystallogr. 39 (2006) 453
28. Gaussian 03, Revision E.010, 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, J.A. Pople, Gaussian, Inc., Wallingford CT, 2004.
29. R. Dennington II, T. Keith, J. Millam, GaussView, Version 4.1, Semichem, Inc., Shawnee Mission, KS, 2007.
30. Becke A.D. Phys. Rev. A 38 (1988) 3098
31. Perdew J.P. Phys. Rev. B 33 (1986) 8822
32. Vosko S.H., Wilk L., and Nusair M. Can. J. Phys. 58 (1980) 1200
33. Becke A.D. J. Chem. Phys. 98 (1993) 5648
34. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1998) 785
35. Stephens P.J., Devlin F.J., Chabalowski C.F., and Frisch M.J. J. Phys. Chem. 98 (1994) 11623
36. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev. B 46 (1992) 6671
37. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev. B 48 (1993) 4978
38. Perdew J.P., Burke K., and Wang Y. Phys. Rev. B 54 (1996) 16533
39. Adamo C., and Barone V. J. Chem. Phys. 108 (1998) 664
40. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
41. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 78 (1997) 1396
42. Chang S.C., Ma J.K.H., Wang J.T., and Li N.C. J. Coord. Chem. 2 (1972) 31
43. Heren Z., Ersanli{dotless} C.C., Keser C., and Ískeleli N.O. Acta Crystallogr., Sect. E 62 (2006) m796
44. Kukovec B.-M., Popović Z., Pavlović G., and Rajić Linarić M. J. Mol. Struct. 882 (2008) 47
45. Coe B.J., and Glenwright S.J. Coord. Chem. Rev. 203 (2000) 5
46. Desiraju G.R., and Steiner T. The Weak Hydrogen Bond in Structural Chemistry and Biology (2001), Oxford University Press, Oxford
47. Desiraju G.R. Acc. Chem. Res. 35 (2002) 565
48. Jeffrey G.A. An Introduction to Hydrogen Bonding (1997), Oxford University Press, Oxford
49. Hunter C.A., and Sanders J.K.M. J. Am. Chem. Soc. 112 (1990) 5525
50. Janiak C. J. Chem. Soc., Dalton Trans. (2000) 3885
51. Hunter C.A., Lawson K.R., Perkins J., and Urch C.J. J. Chem. Soc., Perkin Trans. 2 (2001) 651
52. Hunter C.A. Chem. Soc. Rev. 23 (1994) 101
53. Claessens C.G., and Stoddart J.F. J. Phys. Org. Chem. 10 (1997) 254
54. Ueno L.T., Machado A.E.H., and Machado F.B.C. J. Mol. Struct. (Theochem) 899 (2009) 71
55. Williams R.W., and Lowrey A.H. J. Comput. Chem. 12 (1991) 761