S. Naiya et al. / Inorganica Chimica Acta 363 (2010) 3904–3913
3913
[3] G. Ambrosi, M. Formica, V. Fusi, L. Giorgi, M. Micheloni, Coord. Chem. Rev. 252
(2008) 1121.
4. Concluding remarks
[4] V. Balzani, A. Juris, M. Venturi, Chem. Rev. 96 (1996) 759.
[5] E.I. Solomon, X. Xie, A. Dey, Chem. Soc. Rev. 37 (2008) 623.
[6] R.D. Adams, B. Captain, Angew. Chem., Int. Ed. 47 (2008) 252.
[7] C. Bazzicalupi, A. Bencini, V. Fusi, C. Giorgi, P. Paoletti, B. Valtancoli, Inorg.
Chem. 37 (1998) 941 (and references cited therein).
[8] L.K. Thompson, Coord. Chem. Rev. 233–234 (2002) 193.
[9] T. Koike, M. Inoue, E. Kimura, M. Shiro, J. Am. Chem. Soc. 118 (1996) 3091.
[10] P.-G. Lassahn, V. Lozan, G.A. Timco, P. Christian, C. Janiak, R.E.P. Winpenny, J.
Catal. 222 (2004) 260.
[11] X.-H. Bu, M. Du, L. Zhang, D.-Z. Liao, J.-K. Tang, R.-H. Zhang, M. Shionoya, J.
Chem. Soc., Dalton Trans. (2001) 593.
[12] P. Mukherjee, M.G.B. Drew, C.J. Gómez-García, A. Ghosh, Inorg. Chem. 48
(2009) 5848.
[13] S.K. Dey, M.S.E. Fallah, J. Ribas, T. Matsushita, V. Gramlich, S. Mitra, Inorg.
Chim. Acta 357 (2004) 1517.
[14] S. Basak, S. Sen, C. Marschner, J. Baumgartner, S.R. Batten, D.R. Turner, S. Mitra,
Polyhedron 27 (2008) 1193.
[15] S.K. Dey, N. Mondal, M.S. El Fallah, R. Vicente, A. Escuder, X. Solans, M. Font-
Bardia, T. Matsushita, V. Gramlich, S. Mitra, Inorg. Chem. 43 (2004) 2427.
[16] M. Dey, C.P. Rao, P.K. Saarenketo, K. Rissanen, Inorg. Chem. Commun. (2002)
924.
[17] S. Koizumi, M. Nihei, H. Oshio, Chem. Lett. 32 (2003) 812.
[18] P. Mukherjee, M.G.B. Drew, C.J. Gómez-García, A. Ghosh, Inorg. Chem. 48
(2009) 4817.
[19] S. Mukherjee, T. Weyhermuller, E. Bothe, K. Wieghardt, P. Chaudhuri, Eur. J.
Inorg. Chem. 47 (2003) 863.
[20] L.I. Budarin, N.A. Burlaenko, L.M. Pogorelaya, V.V. Olijnik, Koord. Khim. (Russ.)
Coord. Chem. 24 (1998) 36.
[21] X.-G. Cui, D.-X. Liu, F.-L. Li, J. Huaxue, Chin. J. Struct. Chem. 9 (1990) 196.
[22] A.D. Garnovskii, A.S. Burlov, D.A. Garnovskii, I.S. Vasilchenko, A.S. Antsichkina,
G.G. Sadikov, A. Sousa, J.A. Garcia-Vazquez, J. Romero, M.L. Duran, A. Sousa-
Pedrares, C. Gomez, Polyhedron 18 (1999) 863.
[23] V. Lozan, P.-G. Lassahn, C. Zhang, B. Wu, C. Janiak, G. Rheinwald, H. Lang, Z.
Naturforsch. B Chem. Sci. 58 (2003) 1152.
Two new dinuclear NiII complexes have been synthesized using
a tridentate Schiff base ligand and characterized by single crystal
X-ray analyses. Complexes 2 and 3 are centrosymmetric dimers
where the NiII ions are in distorted facial and meridional octahedral
environment, respectively, bridged by two l2-phenolate ions of the
deprotonated ligand. Interestingly, the plane of the phenyl rings
and the Ni2O2 basal plane are nearly coplanar in 2 but approxi-
mately perpendicular in 3. The theoretical results demonstrate that
the coplanar arrangement is approximately 1.0 kcal/mol more
favorable than the perpendicular one. In addition, the theoretical
study is useful to explain the experimental conformation observed
in 3, which is energetically less favorable. It is stabilized in the so-
lid state via intermolecular noncovalent interactions, which com-
pensate the energy for unfavorable meridional configuration with
perpendicular arrangement of the phenyl ring. The complexes are
therefore very good examples to demonstrate that the facial and
meridional arrangements of a tridentate ligand can be dictated
by the supramolecular forces such as H-bonds and the stabilization
of energetically less favored isomers in the solid state can occur
with the help of weak intermolecular interactions specially when
the isomers differ only slightly in energy. However, it should be
noted that both the isomers are probably present in solution as
the difference in energy between them is very small and that the
solubility of a particular product and/or the kinetics of crystalliza-
tion are also the important factors for separation of it in the solid
state.
[24] X.-S. Tai, L.-H. Wang, Y.-Z. Li, M.-Y. Tan, Z. Kristallogr. New Cryst. Struct. 219
(2004) 407.
[25] P.A. Karplus, M.A. Pearson, Acc. Chem. Res. 30 (1997) 330.
[26] H.L. Zhu, Y.S. Tong, X.M. Chen, C.X. Ren, Transition Met. Chem. 26 (2001) 528.
[27] J.M. Floyd, G.M. Gray, A.G.V. Spivey, C.M. Lawson, T.M. Pritchett, M.J. Ferry, R.C.
Hoffman, A.G. Mott, Inorg. Chim. Acta 358 (2005) 3773.
[28] H. Liu, H. Wang, D. Niu, Z. Lu, J. Sun, React. Inorg. Met. Org. Nano-Met. Chem.
35 (2005) 233.
[29] L.R. Falvello, D. Ferrer, M. Piedrafita, T. Solerb, Eng. Comm. 9 (2007) 852.
[30] A. Grirrane, A. Pastor, A. Galindo, D. Rio, A. Orlandini, C. Mealli, A. Ienco, A.
Caneschi, J.F. Sanz, Angew. Chem., Int. Ed. 44 (2005) 3429.
[31] CrysAlis, 2006, Oxford Diffraction Ltd., Abingdon, UK.
[32] G.M. Sheldrick, Programs for crystallographic solution and refinement, Acta
Cryst. A64 (2008) 112.
Acknowledgments
S.N. thanks CSIR, India and UGC, India, respectively, for research
fellowships [Sanction No.09/028 (0702)/2008-EMR-I]. We also
thank EPSRC and the University of Reading for funds for the X-Cal-
ibur system. We thank Dr. David Quiñonero for helpful discussions
and C.E. thanks the MEC of Spain for a fellowship. We thank the
MICINN of Spain (project CTQ2008-00841/BQU) for financial sup-
port. We thank the Centre de Supercomputació de Catalunya (CES-
CA) for computational facilities.
[33] ABSPACK, Oxford Diffraction Ltd., Oxford, UK, 2005.
[34] R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kölmel, Chem. Phys. Lett. 162 (1989)
165.
[35] D. Quiñonero, C. Garau, A. Frontera, P. Ballester, A. Costa, P.M. Deyà, J. Phys.
Chem. A 110 (2006) 5144.
Appendix A. Supplementary data
[36] R.F.W. Bader, Chem. Rev. 91 (1991) 893.
[37] R.F.W. Bader, Atoms in Molecules. A Quantum Theory, Clarendon, Oxford,
1990.
[38] F.B. König, J. Schönbohm, D. Bayles, J. Comp. Chem. 22 (2001) 545.
[39] P. Mukherjee, M.G.B. Drew, M. Estrader, A. Ghosh, Inorg. Chem. 47 (2008)
7784.
[40] L. Gomes, E. Pereira, B.C. De, J. Chem. Soc., Dalton Trans. (2000) 1373.
[41] A. Majumder, G.M. Rosair, A. Mallick, N. Chattopadhyay, S. Mitra, Polyhedron
25 (2006) 1753.
[42] X. Liu, L. Guo, L. Cheng, H. Ju, Talanta 78 (2009) 691.
[43] R. Shingles, M.H. Roh, R.E. McCarty, J. Bioenerg. Biomembr. 29 (1997) 611.
[44] M.C. Aragoni, M. Arca, F. Demartin, F.A. Devillanova, F. Isaia, A. Garau, V.
Lippolis, F. Jalali, U. Papke, M. Shamsipur, L. Tei, A. Yari, G. Verani, Inorg. Chem.
41 (2002) 6623 (and references cited therein).
Supplementary data associated with this article can be found, in
CCDC 753475, 753476 and 753477 contains the supplementary
crystallographic data for compounds 1, 2 and 3 (excluding struc-
ture factors). These data can be obtained free of charge from The
References
[45] S. Tsuzuki, K. Honda, T. Uchimaru, M. Mikami, K. Tanabe, J. Am. Chem. Soc. 122
(2000) 3746.
[46] R.F.W. Bader, J. Phys. Chem. A 102 (1998) 7314.
[1] P. Dapporto, M. Formica, V. Fusi, L. Giothi, M. Micheloni, P. Paoli, R. Pontellini,
P. Rossi, Inorg. Chem. 40 (2001) 6186.
[2] G.E. Kostakis, A.K. Powell, Coord. Chem. Rev. 253 (2009) 2686.