Transition metal complexes enslaved in the supercages of zeolite-Y: DFT investigation and catalytic significance

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Volumn 74, Issue 1-4, 2012, Pages 117-127

  Modi, Chetan K ^a   Trivedi, Parthiv M ^a   Gupta, Sanjeev K ^a   Jha, Prafulla K ^a  

^a BHAVNAGAR UNIVERSITY   (India)

Author keywords

Catalytic hydroxylation of phenol; DFT; Transition metal complexes; Zeolite Y encapsulated hybrid materials

Indexed keywords

EID: 84864462788     PISSN: 09230750     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10847-011-0090-8     Document Type: Article

References (38)

1. 2 catalysed by dioxovanadium(V) and copper(II) complexes of 2-aminomethylbenzimidazole-based ligand encapsulated in zeolite-Y J. Mol. Catal. A: Chem 263 227 237 1:CAS:528:DC%2BD2sXhtlWhtLk%3D 10.1016/j.molcata.2006.08.084 (Pubitemid 46186136)
2. 4)]) nanocomposite materials: ship-in-a-bottle synthesis, characterization and liquid phase oxidation of phenol with hydrogen peroxide Catal. Commun. 7 336 343 1:CAS:528:DC%2BD28XjvFymtLw%3D 10.1016/j.catcom.2005.12.003
3. M Salavati-Niasari 2009 Synthesis, characterization of cobalt(II) complex nanoparticles encapsulated within nanoreactors of zeolite-Y and their catalytic activities J. Mol. Catal. A: Chem. 310 51 58 1:CAS:528:DC%2BD1MXptlCgtro%3D 10.1016/j.molcata.2009.05.018
4. M Salavati-Niasari F Davar 2010 Synthesis, characterization, and catalytic oxidation of ethylbenzene over host (zeolite-Y)/guest (copper(II) complexes of tetraaza macrocyclic ligands) nanocomposite materials J. Coord. Chem. 63 3240 3255 1:CAS:528:DC%2BC3cXhtVOnsrfO 10.1080/00958972.2010.510557
5. 2 catalyzed by tetraazamacrocycle complexes of Cu(II) and Ni(II) encapsulated in zeolite-Y Appl. Catal. A: Gen 381 8 17 1:CAS:528:DC%2BC3cXmtVGhu7Y%3D 10.1016/j.apcata.2010.03.027
6. HS Abbo SJJ Titinchi 2009 Di-, tri- and tetra-valent ion-exchanged NaY zeolite: active heterogeneous catalysts for hydroxylation of benzene and phenol Appl. Catal. A: Gen 356 167 171 1:CAS:528:DC%2BD1MXitVCqtbs%3D 10.1016/j.apcata.2009.01.003
7. F Farzaneh M Poorkhosravania M Ghandi 2009 Utilization of immobilized biomimetic iron complexes within nanoreactors of Al-MCM-41 as cyclohexane oxidation catalyst J. Mol. Catal. A: Chem 308 108 113 1:CAS:528: DC%2BD1MXotFCmsL4%3D 10.1016/j.molcata.2009.03.039
8. N Nunes R Amaro F Costa E Rombi AM Carvalho IC Neves AM Fonseca 2007 Copper(II)-purine complexes encapsulated in NaY zeolite Eur. J. Inorg. Chem. 2007 1682 1689 10.1002/ejic.200601036
9. Notari, B.: Chemistry of microporous crystals. In: Inui, T.; Namba, S.; Tatsumi, T. (eds.) Studies in surface science and catalysis. Elsevier, Amsterdam (1991)
10. JS Reddy S Sivasanker P Ratnasamy 1992 Hydroxylation of phenol over TS-2, a titanium silicate molecular sieve J. Mol. Catal. 71 373 381 1:CAS:528:DyaK38XitlGitb8%3D 10.1016/0304-5102(92)85027-D
11. MR Maurya M Kumar A Kumar J Costa Pessoa 2008 Oxidation of p-chlorotoluene and cyclohexene catalysed by polymer-anchored oxovanadium(IV) and copper(II) complexes of amino acid derived tridentate ligands Dalt. Trans. 263 4220 4232 10.1039/b804823a
12. IK Biernacka K Biernacka AL Magalhães AM Fonseca IC Neves 2011 Catalytic behavior of 1-(2-pyridylazo)-2-naphthol transition metal complexes encapsulated in Y zeolite J. Catal. 278 102 110 10.1016/j.jcat.2010.11.022
13. R Ganesan B Vishwanathan 2004 Redox properties of bis(8-hydroxyquinoline) manganese(II) encapsulated in various zeolites J. Mol. Catal. A: Chem 223 21 29 1:CAS:528:DC%2BD2cXpt1Wnu7s%3D 10.1016/j.molcata.2004.03.055
14. x over Ag-MFI zeolite Catal. Today 153 90 94 1:CAS:528:DC%2BC3cXoslyqsr4%3D 10.1016/j.cattod.2010.03.078
15. MG Gotsev PM Ivanov 2009 Molecular dynamics of large-ring cyclodextrins: principal component analysis of the conformational interconversions J. Phys. Chem. B 113 5752 5759 1:CAS:528:DC%2BD1MXjvFKku7w%3D 10.1021/jp805446w
16. HW Zhou WP Lai ZQ Zhang WK Li HY Cheung 2009 Computational study on the molecular inclusion of andrographolide by cyclodextrin J. Comput. Aided Mol. Des. 23 153 162 1:CAS:528:DC%2BD1MXhtF2nt70%3D 10.1007/s10822-008-9247-y
17. CPA Anconi CS Nascimento Jr J Fedoce-Lopes HFD Santos WBD Almeida 2007 Ab initio calculations on low-energy conformers of α-cyclodextrin. J Phys. Chem. A 111 12127 12135 1:CAS:528:DC%2BD2sXht1yrur%2FE 10.1021/jp0762424 (Pubitemid 350275443)
18. 3: A density functional theory study J. Catal. 272 227 234 1:CAS:528:DC%2BC3cXntVymurw%3D 10.1016/j.jcat.2010.04.003
19. AA Rybakov AV Larin GM Zhidomirov DN Trubnikov DP Vercauteren 2011 DFT investigation of CO oxidation over Mg exchanged periodic zeolite models Comput. Theo. Chem. 964 108 115 1:CAS:528:DC%2BC3MXitlarsLw%3D 10.1016/j.comptc.2010.12. 007
20. HD Yin SW Chen LW Li D Qi 2007 Synthesis, characterization and crystal structures of the organotin(IV) compounds with the Schiff base ligands of pyruvic acid thiophene-2-carboxylic hydrazone and salicylaldehyde thiophene-2-carboxylic hydrazone Inorg. Chim. Acta 360 2215 2223 1:CAS:528:DC%2BD2sXkt1eitrs%3D 10.1016/j.ica.2006.10.038
21. P Hohenberg W Kohn 1964 Inhomogeneous electron gas Phys. Rev. 136 B864 B871 10.1103/PhysRev.136.B864
22. W Kohn LJ Sham 1965 Self-consistent equations including exchange and correlation effects Phys. Rev. 140 A1133 A1138 10.1103/PhysRev.140.A1133
23. Baroni, S.; Corso, A.D.; de Gironcoli, S.; Giannozzi, P. < http://www.pwscf.org >
24. S Baroni S Gironcoli A De C Dal P Giannozzi 2001 Phonons and related crystal properties from density-functional perturbation theory Rev. Mod. Phys. 73 515 562 1:CAS:528:DC%2BD3MXlvFKrtLc%3D 10.1103/RevModPhys.73.515
25. JP Perdew K Burke M Ernzerhof 1996 Generalized gradient approximation made simple Phys. Rev. Lett. 77 3865 3868 1:CAS:528:DyaK28XmsVCgsbs%3D 10.1103/PhysRevLett.77.3865 (Pubitemid 126631804)
26. HJ Monkhorst JD Pack 1976 Special points for brillouin-zone integrations Phys. Rev. B 13 5188 5192 10.1103/PhysRevB.13.5188
27. N Marzari D Vanderbilt MC Payne 1997 Ensemble density-functional theory for ab initio molecular dynamics of metals and finite-temperature insulators Phys. Rev. Lett. 79 1337 1340 1:CAS:528:DyaK2sXlvVekt7o%3D 10.1103/PhysRevLett. 79.1337 (Pubitemid 127658427)
28. B Dutta S Jana R Bera PK Saha S Koner 2007 Immobilization of copper Schiff base complexes in zeolite matrix: preparation, characterization and catalytic study Appl. Catal. A: Gen 318 89 94 1:CAS:528:DC%2BD2sXltVSkug%3D%3D 10.1016/j.apcata.2006.10.041 (Pubitemid 46054428)
29. P Chen B Fan M Song C Jin J Ma R Li 2006 Zeolite-encapsulated Ru(III) tetrahydro-Schiff base complex: an efficient heterogeneous catalyst for the hydrogenation of benzene under mild conditions Catal. Commun. 7 969 973 1:CAS:528:DC%2BD28XhtFWiurrF 10.1016/j.catcom.2006.04.003 (Pubitemid 44585242)
30. CK Modi DH Jani HS Patel HM Pandya 2010 Novel Fe(III) heterochelates: synthesis, structural features and fluorescence studies Spectrochim. Acta A 75 1321 1328 1:STN:280:DC%2BC3c7ns1aisQ%3D%3D 10.1016/j.saa.2009.12.076
31. CK Modi DH Jani 2010 Novel Mn(III) heterochelates: synthesis, thermal, spectroscopic, and coordination aspects J. Therm. Anal. Calorim. 102 1001 1010 1:CAS:528:DC%2BC3cXhsVCrsb3I 10.1007/s10973-010-0890-x
32. Nakamoto, K.: Infrared spectra and Raman spectra of inorganic and coordination compounds, part B: application in coordination, organometallic, and bioinorganic chemistry, 6th edn. Wiley Interscience, New Jersey (2009)
33. AH Ahmed AG Mostafa 2009 Synthesis and identification of zeolite-encapsulated iron(II), iron(III)-hydrazone complexes Mater. Sci. Eng. C 29 877 883 1:CAS:528:DC%2BD1MXltVyrtLg%3D 10.1016/j.msec.2008.07.023
34. CK Modi 2009 Synthesis, spectral investigation and thermal aspects of coordination polymeric chain assemblies of some transition metal ions with bis-pyrazolones Spectrochim. Acta A 71 1741 1748 1:STN:280: DC%2BD1cjkvVOrsQ%3D%3D 10.1016/j.saa.2008.06.024
35. NM El-Metwaly 2007 Spectral and biological investigation of 5-hydroxyl-3-oxopyrazoline 1-carbothiohydrazide and its transition metal complexes Trans. Met. Chem. 32 88 94 1:CAS:528:DC%2BD2sXns1SrsQ%3D%3D 10.1007/s11243-006-0135-9 (Pubitemid 46154533)
36. AH Maki BR McGarvey 1958 Electron spin resonance in transition metal chelates. II. copper(II) bis-salicylaldehyde-imine J. Chem. Phys. 29 35 38 1:CAS:528:DyaG1cXhtVahu7k%3D 10.1063/1.1744457
37. CK Modi IA Patel BT Thaker 2008 Manganese(III) schiff-base complexes involving heterocyclic β-diketone and diethylene triamine J. Coord. Chem. 61 3110 3121 1:CAS:528:DC%2BD1cXhtFaqsLfI 10.1080/00958970802007688
38. M Ghandi M Alizadeh 2005 Immobilized copper(II) complexes on montmorillonite and MCM-41 as selective catalysts for epoxidation of alkenes J. Mol. Catal. A: Chem 233 127 131 10.1016/j.molcata.2005.01.046 (Pubitemid 40429432)