Rhenium(V) oxocomplexes incorporating 2-(2H-benzotriazol-2-yl)-4,6-di-tert- pentylphenolate ligand: X-ray studies, spectroscopic characterization and DFT calculations

Structural Chemistry

Volumn 22, Issue 4, 2011, Pages 765-774

  MacHura, B ^a   Wolff, M ^a   Switlicka A ^a   Gryca, I ^a   Nawrot, I ^a   Kruszynski, R ^b  

^a UNIVERSITY OF SILESIA   (Poland)

^b LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

2 (2H benzotriazol 2 yl) 4; 6 Di tert pentylphenol; DFT calculations; NBO analysis; Rhenium(V) oxo complexes; X ray and electronic structure

Indexed keywords

EID: 80051577512     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-011-9753-8     Document Type: Article

References (39)

1. Abram U (2003) In: McCleverty JA, Meyer TJ (eds) Comprehensive coordination chemistry, 2nd edn, vol 5, chapter 5.3. Elsevier, Amsterdam, pp 271-402
2. JR Dilworth SJ Parrott 1998 Chem Soc Rev 27 43 10.1039/a827043z 1:CAS:528:DyaK1cXjsFOquw%3D%3D
3. Blower P (2006) Dalton Trans 1705
4. RL Richards 1996 Coord Chem Rev 154 83 10.1016/0010-8545(96)01186-1 1:CAS:528:DyaK28XlvFGmt7c%3D
5. MD Fryzuk SA Johnson 2000 Coord Chem Rev 200-202 379 10.1016/S0010- 8545(00)00264-2
6. AJL Pombeiro MFC Guedes da Silva RA Michelin 2001 Coord Chem Rev 218 43 10.1016/S0010-8545(01)80003-5 1:CAS:528:DC%2BD3MXlsFOksLY%3D (Pubitemid 32631446)
7. S Das I Chakraborty A Chakravorty 2003 Polyhedron 22 901 10.1016/S0277-5387(03)00023-8 1:CAS:528:DC%2BD3sXhsVSrsrk%3D
8. Chakraborty I, Bhattacharyya S, Banerjee S, Dirghang BK, Chakravorty A (1999) J Chem Soc Dalton Trans 3747
9. Bhattacharyya S, Chakraborty I, Dirghangi BK, Chakravorty A (2000) Chem Commun 1813
10. Sengupta S, Gangopadhyay J, Chakravorty A (2003) Dalton Trans 4635
11. S Bhattacharyya I Chakraborty BK Dirghangi A Chakravorty 2001 Inorg Chem 40 286 10.1021/ic0005893 1:CAS:528:DC%2BD3cXos1Cks7s%3D (Pubitemid 32187400)
12. J Gangopadhyay S Sengupta S Bhattacharyya I Chakraborty A Chakravorty 2002 Inorg Chem 41 2616 10.1021/ic011064t 1:CAS:528:DC%2BD38Xis12gt7s%3D
13. B Machura S Michalik R Kruszynski J Kusz 2007 Polyhedron 26 2837 10.1016/j.poly.2007.01.054 1:CAS:528:DC%2BD2sXnsValu7g%3D
14. B Machura R Kruszynski 2007 Polyhedron 26 2957 10.1016/j.poly.2007.01.055 1:CAS:528:DC%2BD2sXnvF2iu7g%3D
15. B Machura R Kruszynski J Kusz 2007 Polyhedron 26 3455 10.1016/j.poly.2007.03.031 1:CAS:528:DC%2BD2sXnvF2htL4%3D
16. B Machura R Kruszynski 2007 Polyhedron 26 3686 10.1016/j.poly.2007.03.058 1:CAS:528:DC%2BD2sXpt1CltLY%3D
17. B Machura J Kusz 2008 Polyhedron 27 187 10.1016/j.poly.2007.09.010 1:CAS:528:DC%2BD1cXltlWi
18. B Machura J Kusz 2007 Polyhedron 27 923 10.1016/j.poly.2007.11.024
19. B Machura R Kruszynski J Kusz 2008 Polyhedron 27 1679 10.1016/j.poly.2008.02.018 1:CAS:528:DC%2BD1cXkt12msLc%3D
20. B Machura M Wolff R Kruszynski J Kusz 2009 Polyhedron 28 1211 10.1016/j.poly.2009.02.002 1:CAS:528:DC%2BD1MXkslKqsLg%3D
21. B Machura M Wolff J Kusz R Kruszynski 2009 Polyhedron 28 2949 10.1016/j.poly.2009.06.090 1:CAS:528:DC%2BD1MXhtV2ktLzK
22. B Machura M Wolff J Kusz 2010 Polyhedron 29 1619 10.1016/j.poly.2010.02. 005 1:CAS:528:DC%2BC3cXjvFShtLc%3D
23. Koch W, Holthausen MC (2000) A chemist's guide to density functional theory. Wiley-VCH, Weinheim
24. J Gancheff C Kremer E Kremer ON Ventura 2002 J Mol Struct 580 107 1:CAS:528:DC%2BD38Xis1ehsbc%3D
25. JS Gancheff PA Denis FE Hahn 2010 J Mol Struct 941 1 1:CAS:528: DC%2BC3cXmslGnsw%3D%3D
26. Rouschias G, Wilkinson G (1966) J Chem Soc A 465
27. CrysAlis RED (2009) Oxford Diffraction Ltd, Version 1.171.33.46
28. GM Sheldrick 2008 Acta Crystallogr A64 112 1:CAS:528:DC%2BD2sXhsVGhurzO
29. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery J A Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2003) Gaussian 03, Revision B.03. Gaussian, Inc., Pittsburgh, PA
30. AD Becke 1993 J Chem Phys 98 5648 10.1063/1.464913 1:CAS:528: DyaK3sXisVWgtrw%3D
31. C Lee W Yang RG Parr 1988 Phys Rev B 37 785 10.1103/PhysRevB.37.785 1:CAS:528:DyaL1cXktFWrtbw%3D
32. PC Hariharan JA Pople 1973 Theor Chim Acta 28 213 10.1007/BF00533485 1:CAS:528:DyaE3sXhtFGnsL4%3D
33. VA Rassolov MA Ratner JA Pople PC Redfern LA Curtiss 2001 J Comp Chem 22 976 10.1002/jcc.1058 1:CAS:528:DC%2BD3MXjtlGntrk%3D (Pubitemid 32455735)
34. PJ Hay WR Wadt 1985 J Chem Phys 82 299 10.1063/1.448975 1:CAS:528:DyaL2MXht1SjtLY%3D
35. Casida ME (1996) In: Seminario JM (ed) Recent developments and applications in modern density functional theory, theoretical and computational chemistry, vol 4. Elsevier, Amsterdam
36. ED Glendening AE Reed JE Carpenter F Weinhold NBO (version 3.1) E Reed LA Curtiss F Weinhold 1988 Chem Rev 88 899 10.1021/cr00088a005
37. Desiraju GR, Steiner T (1999) The weak hydrogen bond in structural chemistry and biology. Oxford University Press, Oxford
38. JM Mayer 1988 Inorg Chem 27 3899 10.1021/ic00295a006 1:CAS:528: DyaL1cXlvFOmu7w%3D
39. Flechter SR, Skapski AC (1972) J Chem Soc Dalton 1073