Effect of H-bonding on the ambivalence of SCN- towards copper(II)

Inorganica Chimica Acta

Volumn 362, Issue 5, 2009, Pages 1501-1505

  Drew, Michael G B ^a   Das, Debashree ^b   De, Senjuti ^b   Datta, Dipankar ^b  

^a UNIVERSITY OF READING   (United Kingdom)

^b DEPARTMENT OF MATERIALS SCIENCE   (India)

Author keywords

Copper(II); DFT; H bond; N ligands; structural isomers; thiocyanate

Indexed keywords

DENSITY FUNCTIONAL THEORY; DIMERS; HYDROGEN BONDS; ISOMERS; LIGANDS;

AXIAL POSITIONS; DFT CALCULATION; H-BONDS; INTERMOLECULAR H-BONDING; N LIGANDS; N-DONOR LIGANDS; STRUCTURAL ISOMERS; THIOCYANATE;

COPPER COMPOUNDS;

EID: 60849110556     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2008.07.007     Document Type: Article

References (32)

1. Trivedi D.R., Ballabh A., Dastidar P., and Ganguly B. Chem. Eur. J. 10 (2004) 5311
2. Steiner T. Angew. Chem., Int. Ed. 41 (2002) 48
3. Banerjee K., De S., and Datta D. J. Chem. Crystallogr. 37 (2007) 675
4. He J.H., and Quicocho F.A. Science 251 (1991) 1479
5. Steed J.W., and Atwood J.L. Supramolecular Chemistry (2002), Wiley, Chicester
6. Whitesides G.M., Simanek E.E., Mathias J.P., Seto C.T., Chin D.N., Mammen M., and Gordon D.M. Acc. Chem. Res. 28 (1995) 37
7. Lehn J.-M. NATO ASI Ser. E: Appl. Sci. USA 320 (2002) 511
8. Leininger S., Olenyuk B., and Stang P.J. Chem. Rev. 100 (2000) 853
9. Granja J.R., and Ghadiri M.R. Angew. Chem., Int. Ed. 40 (2001) 988
10. Moralez J.G., Raez J., Yamazaki T., Motkuri R.K., Kovalenko A., and Fenniri H. J. Am. Chem. Soc. 127 (2005) 8307
11. Nam W., Ho R., and Valentine J.S. J. Am. Chem. Soc. 113 (1991) 7052
12. Wada A., Honda Y., Yamaguchi S., Nagatomo S., Kitagawa T., Jitsukawa K., and Masuda H. Inorg. Chem. 43 (2004) 5725
13. Bergquist C., Fillebeen T., Morlok M.M., and Parkin G. J. Am. Chem. Soc. 125 (2003) 6189
14. Garner D.K., Fitch S.B., McAlexander L.H., Bezold L.M., Arif A.M., and Berreau L.M. J. Am. Chem. Soc. 124 (2002) 9970
15. Webster C.E. J. Am. Chem. Soc. 124 (2004) 6840
16. J.E. Huheey, Inorganic Chemistry, Principles of Structure and Reactivity, 3rd ed., Harper and Row, New York, 1983, p. 516.
17. Jeffrey G.A. An introduction to Hydrogen Bonding (1997), Oxford University Press, Oxford
18. 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-03, Revision B.03, Wallingford, CT, 2003.
19. Desplanches C., Ruiz E., Rodríguez-Fortea A., and Alvarez S. J. Am. Chem. Soc. 124 (2002) 5197
20. Desplanches C., Ruiz E., and Alvarez S. Chem. Commun. (2002) 2614-2615
21. Vieira E.D., Casado N.M.C., Facchin G., Torre M.H., Costa-Filho A.J., and Calvo R. Inorg. Chem. 45 (2006) 2942
22. Valigura D., Moncol J., Korabik M., Púčeková Z., Lis T., Mroziński J., and Melník M. Eur. J. Inorg. Chem. (2006) 3813
23. Ruiz E., Llunell M., Cano J., Rabu P., Drillon M., and Massobrio C. J. Phys. Chem. B 110 (2006) 115-118
24. Mostafa G., Jana J., Patra G.K., and Datta D. Indian J. Chem., Sect. A 38 (2000) 1174
25. Naskar J.P., Hati S., and Datta D. Acta Crystallogr., Sect. B 53 (1997) 885
26. E. Ruiz, personal communication.
27. Kabesova M., Soldanova J., and Dunaj-Jurco M. Proc. Conf. Coord. Chem. 10 (1985) 183
28. Datta D. Inorg. Chem. 31 (1992) 2797
29. Haasnoot J.G., Engelfriet D.W., and Reedjik J. Inorg. Synth. 23 (1985) 157
30. Crysalis Program, Oxford Diffraction Ltd., Oxford, UK, 2005.
31. G.M. Sheldrick, shelxl-97, University of Göttingen, Göttingen, Germany, 1997.
32. abspack Program, Oxford Diffraction Ltd., Oxford, UK, 2005.