João Rocha  
     
  phone: 234 370 730  
  extension: 23 550  
  e-mail: rocha@ua.pt  
  category: Full professor  
  departament: Chemistry  
  office: 15.3.24  
  research line: L1 - Nano- and Micro-Structured Materials for Information and Communication Technology
 
  research group: G1 - Inorganic Functional Nanomaterials and Organic-Inorganic Hybrids
 
isi web of knowledgeSM search factor: rocha j not (lone or lansu or zweers or korolchuk or kuromi or rocha j? or rocha j??)´, ´Cambridge or Aveiro same(Chem* or Quim*) not oporto  
  direct url: http://www.ciceco.ua.pt/jr  
     
Short CV

Researcher ID: http://www.researcherid.com/rid/A-2486-2010

ORCID: http://orcid.org/0000-0002-0417-9402

                                       

João (born 1962) is correspondent member of the Lisbon Academy of Sciences (Chemistry) (restricted to 13 Chemists) and Director of the Centre for Research in Ceramics and Composite Materials-CICECO- and member of the National Science and Technology Council (headed by the Prime Minister).

He got his Ph.D. in 1990 from the Department of Chemistry, Cambridge University, UK, working on solid-state NMR of kaolinite and related materials (supervisor Prof. Jacek Klinowski). This was followed by a one year post-doc (NMR of zeolite-type materials) in the same group. He has been in the Chemistry Department, Aveiro University, since mid 1991. In 1999 he was promoted to Full Professor of Inorganic Chemistry.

João published ca. 420 SCI papers and 22 book chapters, with ca. 9500 citations (h-index 48), and 3 patent applications, and gave over one hundred talks (most invited) at conferences (most international). In 2004 he received from the Portuguese Science Foundation the prize for Scientific Excellence.

He is Vice-director of the "European Multifunctional Materials Institute", a follow up of the European Network of Excellence FAME. He is Chair of the Commission on Inorganic and Mineral Structures of the International Union of Crystallography.  He is on the editorial board of European Journal of Inorganic Chemistry and Solid State Nuclear Magnetic Resonance and the RSC Nanoscience and Nanotechnology book series.
He has been a member of assessment committees of the European Research Council Advanced Grants, IBM prize Portugal, LABEX (France), Portuguese Science Foundation (grants and research institutions), and has also reviewed projects and assessed research groups for France, Netherlands, Belgium, Luxembourg, UK, Austria. He is regularly called upon by the Portuguese Science Foundation (FCT) to coordinate the panel awarding post-doc and Ph.D. grants in Materials Science and Engineering, and in 2003 he headed the panel (of foreign scientists) that evaluated the Portuguese Materials Science and Engineering research groups. He has been a regular referee for the leading journals in Chemistry, Materials Science and NMR, such as Angewandte Chemie, Journal of the American Chemical Society, Advanced Materials, Chemistry of Materials, Journal of Magnetic Resonance and Solid State NMR. 

João’s group was part of a European Madame Curie Training Site ("Advanced Ceramic Materials: Synthesis and Structure”) in Aveiro University.

João’s first degree was on Physics and Chemistry aimed at teaching in secondary schools. He still enjoys (whenever possible) visiting schools and giving talks aimed at raising the students scientific awareness and showing the beauty of Chemistry and Materials Science.
João is passionate for Nature and loves bird watching (especially eagles) or just rambling around. He plays karate and loves gardening, music (particularly opera), and meeting people other then scientists and academics.

Scientific Interests

- Much of the work of J Rocha in the last decade focused on engineering Ln3+ optical centres in a range of materials, in particular, combining microporosity (or host-guest chemistry) and photoluminescence. Such materials comprise, among others, framework microporous and layered silicates, Metal Organic Frameworks, mesoporous (MCM-type) silicas, lanthanide oxide nanotubes, organic-inorganic hybrids, ureasils and urethanosils, layered double hydroxides, polyoxometallates.

- For the last 17 years his group has been interested in the synthesis of framework microporous and layered materials (ca. 100 novel Ti, Zr, V, Nb, Cu, Sn, Ca, Y, Ce and other lanthanides, silicates, the so-called AV and AM materials), in the form of powders, membranes and films, and their characterisation by a range of techniques (NMR, powder XRD, FTRaman and FTIR...). The group has explored the applications of these materials in optoelectronics (luminescence), catalysis, gas sorption and separation, ion exchange, magnetism and as MRI contrast agents. We are also much interested in the synthesis, structure characterisation and properties of Metal Organic Frameworks of transition metals and lanthanides. The group is particularly strong in solid-state NMR spectroscopy and has pioneered the development of certain techniques for the study of (i) quadrupolar (I>1/2) nuclei, particularly multiple-quantum MAS NMR and related techniques (FAM MQ MAS, HETCOR MQ MAS, ST MAS, I-ST MAS...), and (ii) 1Husing high-resolution CRAMPS techniques (FSLG, PMLG, DUMBO). Recently, we developed interest in the area of biologically-relevant materials, in particular materials for slow release of drug molecules (such as NO), new MRI contrast agents and nanostructures for bimodal (MRI and optical) imaging. We have just started solid-state NMR work on pharmaceuticals (polymorphism, hydrates...) and small proteins.

                                                

Present Research Group

João has supervised(es) 30 post-docs and 20 Ph.D. students. At present his group includes:

Post-Docs - Mariana Sardo (co-supervisors L. Mafra, Beat Meier, ETH), Sérgio Santos (L. Mafra), Samuel Guieu (A. Silva), Vânia André (T. Duarte, IST), Paula Santos, Rui Munha (L. Carlos),  and (soon) Sudipta Ray (L. Carlos), Zhuopeng Wang (L. Carlos);

Ph.D. Students - Mengistie Debasu (L. Carlos), Rheda Ahmed (A. Silva), Bruno Figueiredo (C. Silva)

                                 

Main present collaborators

Portuguese Aveiro – Luís Carlos, Zhi Lin, Filipe Paz, Luís Mafra, Fanian Shi, Duarte Ananias, Rute Ferreira, Anabela Valente, Martyn Pillinger, Tito Trindade; Coimbra – Carlos Geraldes

European Michael Anderson (UMIST, UK), Jacek Klinowski (Cambridge, UK), Luis Liz-Marzán (San Sebastián and Bilbao, Spain) Christian Serre (Versailles, France), Clement Sanchez (Collége de France), Marie-Helene Delville (Bordeaux, France), Vicente Rives (Salamanca, Spain); Rúben Garcia and Garcia Granda (Oviedo, Spain), Fernando Rey, Avelino Corma (Valencia, Spain), Giovanni Ferraris (Torino, Italy)

                                      

 

Teaching Activity
At present, João is on sabbatical leave. Normally he lectures on Inorganic and Materials Chemistry and Nuclear Magnetic Resonance Spectroscopy.
Present projects

Coordinated over two dozens of projects (6 European)

Present projects

- National - (PORC-MaisCentro), “Biomaterials for Regenerative Medicine", SCT_2011_02_030_4872

- European, COST Action MP1202, "Rational Design of Hybrid Organic-Inorganic Interfaces: the Next Step Towards Advanced Functional Materials"

                                

Selected Publications

1. MICROPOROUS MATERIALS

Transition Metal (& Sn) Silicates                

1) Anderson, M. W., Terasaki, O., Ohsuna, Philippou, A., MacKay, S. P., Ferreira, A., Rocha, J. and Lidin, S., "Structure of the microporous titanosilicate ETS-10" Nature, 367: 347 (1994).

2) Anderson, M. W., Philippou, A., Ferreira, A., Lin, Z. and Rocha, J., "Al, Ti, avoidance in the microporous titano-aluminosilicate ETAS-10", Angew. Chem., Int. Ed. Engl, 34: 1003 (1995).

3) Anderson, M. W., Agger, J. R., Luigie, D.-P., Baggaley, A. K. and Rocha, J., "Cation sites in ETS-10: 23Na 3Q MAS NMR and lattice energy minimisation calculations", J. Phys. Chem.Chem. Phys., 1: 2287 (1999).

4) Lin, Z., Rocha, J., Ferreira, P., Thursfield, A., Agger, J. R. and Anderson, M. W., "Synthesis and structural characterisation of microporous framework zirconium silicates", J. Phys. Chem. B, 103: 957 (1999).

5) Ferreira, A., Lin, Z., Rocha, J., Morais, C. M., Fernandez, C., “Ab initio structure determination of a small-pore framework sodium stannosilicate”, Inorg Chem., 40, 3330-3335 (2001).

6) Brandão, P., Almeida Paz, F. A. and Rocha, J., “A novel microporous copper silicate: Na2Cu2Si4O11×2H2O”, Chem. Commun., 171-173 (2005).

7) Ananias, D., Almeida Paz, F. A., Carlos, L. D., Rocha, J., “Chiral microporous rare-earth silico-germanates: Synthesis, structure and photoluminescence properties”, Micropor. Mesopor. Mater., 166: 50-58 (2012).

Rare-Earth Silicates    

1) Rocha, J., Ferreira, P. Carlos, L. D. and Ferreira, A., “The first example of a microporous framework cerium-silicate”, Angew. Chem Int Ed., 39: 3276-3279 (2000).

2) Ananias, D., Ferreira, A., Rocha, J., Ferreira, P., Rainho, J. P:, Morais, C. and Carlos, L. D., “Novel microporous framework europium and terbium silicates”, J. Am. Chem. Soc., 123, 5735-5742 (2001).

3) Ferreira, A., Ananias, D., Carlos, D., Morais, C. M. and Rocha, J., “Novel microporous lanthanide silicates with tobermorite-like structure”, J. Am. Chem. Soc., 125: 14573-14579 (2003).

4) Ananias, A., Paz, F. A. A., Carlos, L. D., Geraldes, F. G. C., Rocha, J., “Optical detection of solid-state chiral structures with unpolarized light and in the absence of external fields”, Angew. Chem. Int. Ed., 45: 7938-7942 (2006).

5) Ananias, D., Ferdov, S., Paz, F. A. A., Sá Ferreira, R. A., Ferreira, A., Geraldes, C. F. G. C., Carlos, L. D., Lin, Z., Rocha, J., “Photoluminescent layered lanthanide silicate nanoparticles”, Chem. Mater., 20: 205-212 (2008).

6) Ananias, D., Kostova, M., Paz, F. A. A., Neto, A. N. C., De Mora, R. T., Malta, O. L., Carlos, L. D., Rocha, J., "Molecule-like Eu3+ dimer enbedded in an extended system exhibits unique photoluminescence properties", J. Am. Chem. Soc., 131: 8620-8626 (2009).

Phosphates 

1) Rocha, J., Esculcas, A. P., Fernandez, C. and Amoureux, J. P., "Two-dimensional triple-quantum 27Al MAS NMR spectroscopic study of the high-temperature phase transformation of microporous VPI-5", J. Phys. Chem., 100: 17889 (1996).

2) Rocha, J., Lourenço, J. P., Ribeiro, M. F., Fernandez, C. and Amoureux, J. P., "Multiple-quantum 27Al MAS NMR spectroscopy of microporous AlPO-40 and SAPO-40", Zeolites, 19: 156 (1997).

2. LANTHANIDES OXIDES NANOTUBES    

1) Macedo, A. G., Ananias, D., André, P. S., Sá Ferreira, R. A., Kholkin, A. L., Carlos, L. D., Rocha, J., “Functionalization of atomic force microscope tips by dielectrophoretic assembly of Gd2O3:Eu3+ nanorods”, Nanotechnol.,  19: 295702 (2008).

2) Macedo, A. G., Ferreira, R. A. S., Ananias, D., Reis, M. S., Amaral, V. S., Carlos L. D., Rocha, J., “Effects of phonon confinement on anomalous thermalization, energy transfer and upconversion in Ln3+-doped Gd2O3 nanotubes”, Adv. Funct. Mater., 20: 624-634 (2010).

3) Debasu, M. L., Ananias, D., Macedo, A. G., Rocha, J., Carlos, L. D., “Emission-decay curves, energy-transfer and effective-eefractive index in Gd2O3:Eu3+ nanorods”, J. Phys. Chem. C, 115: 15297–15303 (2011).

4) Debasu, M. L., Ananias, D., Pastoriza-Santos, I., Liz-Marzan, L. M., Rocha, J., Carlos L. D., “All-In-One OpticalHeater-Thermometer Nanoplatform Operative from Room Temperature to 2000 K”, Adv. Mater., DOI: 10.1002/adma.201300892.   

                                                             

3. ORGANIC-INORGANIC HYBRID MATERIALS

Metal Organic Frameworks and Related Materials    

1) Mafra, M., Almeida Paz, F. A., Shi, F.N., Rocha, J., Trindade, T., Fernandez, C., Makal, A., Wozniak, K., Klinowski, J., “Hydrothermal synthesis and structural characterization of a Ge-pmida binuclear complex: X-ray diffraction and HETCOR MAS NMR with FS-LG decoupling”, Chem. Eur. J., 12: 363-375 (2006).

2) Mafra, L., Paz, F. A. A., Shi, F-N., Sá Ferreira, R. A., Carlos, L. D., Trindade, T., Fernandez, C., Klinowski, J. and Rocha, J., “Crystal structure, Solid-State NMR spectroscopic and photoluminescence studies of Organic-Inorganic Hybrid Materials (HL)6[Ge6(OH)6(hedp)6]·2(L)·nH2O, L=hqn or phen”, Eur. J. Inorg. Chem., 4741-4751 (2006).

3) Cunha-Silva, L., Mafra, L., Ananias, D., Carlos, L. D., Rocha, J., Paz, F. A. A., “Photoluminescent lanthanide-organic 2D networks: a combined synchrotron powder X-ray diffraction and solid-state NMR study”, Chem. Mater., 19: 3527-3538 (2007).

4) Shi, F. N., Cunha-Silva, L., Sá Ferreira, R. A., Mafra, L., Trindade, T., Calos, L. D., Almeida Paz, F. A. and Rocha, J., “Interconvertable Modular Framework and Layered Lanthanide(III)-Etidronic Acid Coordination Polymers”, J. Am. Chem. Soc., 130: 150-167 (2008).

5) Harbuzaru, B. V., Corma, A., Rey, F., Atienzar, P., Jordá, J. L., García, H., Ananias, D., Carlos L. D. and Rocha, J., “Metal-organic nanoporous structures with anisotropic photoluminescence and magnetic properties and their use as sensors”, Angew. Chem. Int. Ed.,47: 1080-1083 (2008).

6) Harbuzaru, B. V., Corma A., Rey, F., Jordá, J. L., Ananias D., Carlos, L. D., Rocha, J., "A miniaturized linear pH sensor based on a highly photoluminescent self-assembled Europium(III) metal organic framework", Angew. Chem. Int. Ed., 48: 6476-6479 (2009).

7) Rocha, J., Shi, F. N., Almeida Raz, F. A., Mafra, L., Sardo, M., Cunha-Silva, L., Chisholm, J., Ribeiro-Claro, P. and Trindade, T., “2D-2D-0D stepwise deconstruction of a water Framework templated by a nanoporous organic-inorganic hybrid host”, Chem. Eur. J., 16: 7741-7749 (2010).

                                                                         

8) Rocha, J., Carlos, L. D., Paz, F. A. A., Ananias, D.,“Luminescent multifunctional lanthanides-based metal-organic frameworks”, Chem. Soc. Rev., 40: 926-940 (2011).

9) Silva, P., Vieira, F., Gomes, A. C., Ananias, D., Fernandes, J. A., Bruno, S. M., Soares, R., Valente, A. A., Rocha, J., Paz, F. A. A., “Thermal transformation of a layered multifunctional network into a metal-organic framework based on a polymeric organic linker”,  J. Am. Chem. Soc., 133: 15120-15138 (2011).

10) Rocha, J., Carlos, L. D., Paz, F. A. A., Ananias, D.,“Luminescent multifunctional lanthanides-based metal-organic frameworks”, Chem. Soc. Rev., 40: 926-940 (2011). 

11) Paz, F. A. A., Klinowski, J., Vilela, S. M. F., Tomé, J. P. C., Cavaleiro, J. A. S.,  “Ligand design for functional metal–organic frameworks”, Chem. Soc. Rev., 41: 1088-1110 (2012).

12) Liu, S. R., Ferreira, R. A. S., Almeida Paz, F. A., Cadiau, A., Carlos, L. D., Fu, L. S., Rocha, J., Shi, F. –N., “Highly emissive Zn-Ln metal organic frameworks with an unusual 3D inorganic subnetwork”, Chem. Commun., 48: 7964-7966 (2012).

13) Shi, F.-N., Silva, A. R., Yang, T.-H., Rocha, J., “Mixed Cu(II)-Bi(III) metal organic framework with a 2-D inorganic subnetwork and its catalytic activity”, Crystal. Growth Design, DOI: 10.1039/C3CE27056D.

14) Abdelhameed, R. M., Carlos, L. D., Silva, A., Rocha, J., “NIR Photoluminescence of novel post-synthetic covalent Modified IRMOF-3”, Chem. Commun., DOI:10.1039/C3CC41446A

Amorphous Hybrids    

1) Fu, L., Sá Ferreira, R. A., Silva N. J. O., Carlos, L. D., Zea Bermudez, V. and Rocha, J., “Photoluminescence and quantum yields of urea and urethane cross-linked nanohybrids derived from carboxylic acid solvolysis”, Chem. Mater., 16: 1507-1516 (2004).

2) Nunes, S. C., de Zea Bermudez, V., Cybinska, J., Ferreira E. A. S., Legendziewics, J., Carlos, L. D., Silva, M. M., Smith, M. J., Ostrovskii, D and  Rocha, J., “Structure and photoluminescent features of di-amide cross-linked alkylene siloxane hybrids”, J. Mater. Chem., 15: 3876-3886 (2005).

3) Nunes, S. C., de Ze Bermudez, V., Silva, M. M., Smith, M. J., Ostrovskii, D., Sá Ferreira, R. A., Carlos, L. D., Rocha, J., Gonçalves, A., Fortunato, E., “Sol-gel derived potassium-based di-ureasils for smart windows", J. Mater. Chem., 17: 4239 (2007).

4) Carlos, L. D., de Zea Bermudez, Amaral, V. S., Nunes, S. C., Silva, N. J. O., Ferreira, R. A. S., .; Rocha, J, Santilli, C. V. and Ostrovskii, D., "Nanoscopic photoluminescence memory as a fingerprint of complexity in hierarchically-structured self-assembled alkylene/siloxane hybrids", Adv. Mater., 19: 341-348 (2007).

Templated and Intercalated Materials 

1) Rocha, J., Duer, M. J. and Klinowski, J., "Solid-state NMR studies of the molecular motion in the kaolinite:DMSO intercalate", J. Am. Chem. Soc., 114: 6867 (1992).

2) Mafra, L., Paz, F. A. A., Rocha, J., Espina, A., Khainakov, S. A. and Garcia, J. R., “Structural characterisation of layered -titanium phosphate (C6H13NH3)[Ti(HPO4)(PO4)]·H2O”, Chem. Mater., 17: 6287-6294 (2005).

3) Mafra, L., Rocha, J., Fernandez, C. and Paz, F. A. A., “Characterisation of microporous aluminophosphate IST-1 using 1H Lee-Goldburg techniques”, J. Magn. Reson., 180: 235-243 (2006).

4) Karmaoui, M., Mafra, L., Sá Ferreira, R. A., Rocha, J., Carlos, L. D. and Pinna, N., "Photoluminescent Rare-Earth Based Biphenolate Lamellar Nanostructures", J. Phys. Chem. C, 111: 2539-2544 (2007 ).
5)  Pinto, M. L., Mafra, L., Guil, J. M., Pires, J., Rocha, J., “Adsorption and activation of CO2 by amine-modified nanoporous materials studied by solid-state NMR and (CO2)-C-13 adsorption”, Chem. Mater., 23: 1387-1395 (2011).

Functionalized MCMs and Periodic Mesoporous Organo-Silicas    

1) Nunes, C. D., Valente, A., Pillinger, M., Fernandes, A. C., Romão, C. C., Rocha, J., Gonçalves, I. S., “MCM-41 functionalised with bipyridyl groups and its use as a support for oxomolybdenum(VI) catalysts”, J. Mater. Chem., 12, 1735-1742 (2002).

2) Nunes, C. D., Valente, A. A., Pillinger, M., Rocha, J. and Gonçalves, I. I., “Molecular structure-activity relationship for the oxidation of organic compounds using mesoporous silica catalysts derivatised with bis(halogeno)dioxomolibdenum(VI) complexes”, Chem. Eur. J., 9: 4380-4390 (2003).

3) Bion, N., Ferreira, P., Valente, A., Gonçalves, I. S. and Rocha, J., “Ordered benzene-silica hybrids with molecular-scale periodicity in the walls and different mesopore sizes”, J. Mater. Chem., 13:1910-1913 (2003).

4) Abrantes, M., Gago, S:, Valente, A. A., Pillinger, M., Gonçalves, I. S:, Santos, T. M., Rocha, J. and Romão C. C., “Incorporation of a (cyclopentadienyl)molybdenum oxo complex in MCM-41 and its use as a catalysts for olefin epoxidation”, Eur. J. Inorg. Chem., 4914 (2004).

5) Fu, L., Sá Ferreira, R. A., Valente, A., Rocha, J and Carlos, L. D., “Optically functional nanocomposites with poly(oxyethylene)-based di-ureasils and mesoporous MCM-41”, Micropor. Mesopor. Mater., 94: 185-192 (2006).
6) Coelho, A. C., Balula, S. S., Bruno, S.M., Alonso, J. C., Bion, N., Ferreira, P., Pillinger, M., Valente, A. A., Rocha, J. and Gonçalves, I. S., “Grafting of Molecularly Ordered Mesoporous Phenylene-Silica with Molybdenum Carbonyl Complexes: Efficient Heterogeneous Catalysts for the Epoxidation of Olefins”, Adv. Synth. Catal., 352: 1759-1769 (2010).

4. MATERIALS FOR DRUG DELIVERY AND IMAGING       

1) del Arco, M., Cebadera, E., Gutiérrez, S., Martín, C., Montero, M. J., Rives, V., Rocha, J. and Sevilla, M. A., “Mg,Al layered double hydroxides with intercalated indomethacin: synthesis, characterisation and pharmacological study”, J. Pharmacol. Sci.,  93: 1649-1658 (2004)

2) del Arco, M., Gutiérrez, S., Martín, C., Rives, V. and Rocha, J., “Synthesis and characterisation of layered double hydroxides (LDH) intercalated with non-steroidal anti-inflamatory (NSAID) drugs”, J. Solid State Chem., 177: 3954-3962 (2004).

3) Braga, S. S., Sá Ferreira, R. A., Gonçalves, I. S.,  Pillinger, M., Rocha, J., Teixeira-Dias, J. J. C. and Carlos, L. D., “Synthesis, characterisation and luminescence of gamma-cyclodextrin inclusion compounds containing europium(III) and gadolinium(III) tris(beta-diketonates)”, J. Phys. Chem., 106: 11430-11437 (2002).

4) Pereira, G. A., Ananias, D., Rocha, J., Muller, R. N., Vander Elst, L., Peters, J. A. and Geraldes, C. F. G. C., “NMR relaxivity of Ln3+-based zeolite-type materials”, J. Mater. Chem, 15: 3832-3837 (2005).
5) Pereira, G. A., Norek, M., Peters, J. A., Ananias, D., Rocha, J., and Geraldes, C. F. G. C., “NMR transversal relaxivity of aqueous suspensions of particles of Ln3+-based zeolite type materials”, Dalton Trasns., 2241-2247 (2008).

6) Pereira, G. A., Joop, P., Paz, F. A. A., Rocha, J., Geraldes, C., “Evaluation of [Ln(H2cmp)(H2O)] metal organic framework materials for potential application as MRI contrast agents", Inorg. Chem., 49: 2969-2974 (2010).

7)Pinho, S. L. C., Pereira, G. A., Voisin, P., Kassem, J., Bouchaud, V., Etienne, L., Peters, J. A., Carlos, L., Mornet, S., Geraldes, C. F. G. C., Rocha, J., DElville, M.-H., “Fine tuning of the relaxometry of gamma-Fe2O3@SiO2 nanoparticles by tweaking the silica coating thickness”, ACS Nano, 4: 5339-5349 (2010).

8) Pinto, M. L., Rocha, J., Gomes, J. R. B., Pires, J., “Slow release of NO by microporous titanosilicate ETS-4”, J. Am. Chem. Soc., 133: 6396–6402 (2011).
9)  Pinho, S. L. C., Faneca, H., Geraldes, C. F. G. C., Delville, M.-H., Carlos, L. D., Rocha, J., “Lanthanide-DTPA grafted silica nanoparticles as bimodal-imaging contrast agents”, Biomater., 33: 925-935 (2012).

                                                           

5. OTHER SELECTED MATERIALS

1) Rocha, J., Orion, I., Nahring, J., Heaton, B. T., Fernandez, C. and Amoureux, J. P., "Solid-state NMR studies of interstitial P atoms within rhodium carbonyl clusters", Solid State NMR, 8: 195 (1997).

2) Walfort, B., Lameyer, L., Weiss, W., Herbst-Irmer, R., Bertermann, R., Rocha, J., and Stalke, D., “{[(MeLi)4.(DEM)1.5]¥ and [(thf)3.Li3Me(NtBu)3S]}- How to reduce aggregation of parent methyllithium”, Chem. Eur. J., 7: 1417 (2001).

                                          

3) Abrantes, M., Valente, A. A., Pillinger, M., Gonçalves, I. S., Rocha, J. and Romão, C. C., “Preparation and characterization of organotin-oxomolybdate coordination polymers and their use in sulfoxidation catalysis", Chem.Eur. J., 9: 2685-2695 (2003).

4) Ananias, D. Ferreira, A., Carlos, L. D. and Rocha, J., “Multifunctional sodium lanthanide silicates: from blue emitters and infrared S-band amplifiers to X-ray phosphors ”, Adv. Mater., 15: 980-85 (2003).

5) Smirnova, O. A., Rocha, J., Nalbandyan, V. B., Kharton, V. V. and Marques, F. M. B., “Crystal structure, local sodium environments and ion dynamics in Na0.9Ni0.6Sb0.4O2, a new mixed antimonate”, Solid State Ion., 178: 1360-1365 (2007).

6. SOLID-STATE NMR: AN OLD PASSION       

1) Rocha, J., Kolodziejski, W. and Klinowski, J., "Two-dimensional J-resolved 13C NMR of a solid with restricted molecular motion", Chem. Phys. Lett., 176: 395 (1991).

2) Rocha, J., Klinowski, J., Barrie, P. J., Jelinek, R. and Pines, A., "Solidstate 27Al NMR studies of aluminophosphate molecular sieves: enhanced resolution by quadrupole nutation and double-rotation", Solid State NMR, 1: 217 (1992).

3) Jäger, C., Rocha, J. and Klinowski, J., "High-speed satellite transition 27Al MAS NMR spectroscopy", Chem. Phys. Lett., 188, 208 (1992).

4) Duer, M. J. and Rocha, J., "A two-dimensional solid-state 2H exchange NMR study of the molecular motion in the kaolinite:DMSO intercalation compound", J. Magn. Reson., 98: 524 (1992).

5) 2) Rocha, J., Lin, Z., Fernandez, C. and Amoureux, J. P., "Multiple-quantum 27Al MAS NMR spectroscopy of microporous aluminium methylphosphonate AlMepO-alfa", Chem. Commun., 2513 (1996).

6) Orion, I., Rocha, J., Jobic, S., Abadie, V., Brec, R., Fernandez, C. and Amoureux, J. P., "125Te solid-state NMR studies of transition metal ditellurides", J. Chem. Soc. Dalton Trans., 20: 3741 (1997).

7) Fernandez, C., Morais, C.,  Rocha, J. and Pruski, M., “High-resolution heteronuclear correlation spectra between 31P and 27Al nuclei in microporous aluminophosphates”, Solid State NMR, 21, 61-79 (2002).

8) Delevoye, L., Fernandez, C., Morais, C. M., Amoureux, J. P., Montouillout, V. and Rocha, J., “Double-resonance decoupling for resolution enhancement of 31P solid-state MAS and 27Al-31P MQ-HETCOR NMR ”, Solid State NMR, 22: 501-512 (2002).

9) Amoureux, J. P., Morais, C, M., Trebosc, J., Rocha, J and Fernandez, C., “I-STMAS, a new high-resolution solid-state NMR method for half-integer quadrupolar nuclei”, Solid State NMR, 23: 213-223 (2003).

10) Morais, C. M., Lopes M., Fernandez, C, and Rocha, J., “Assessing the potential of fast amplitude modulation pulses for improving triple-quantum MAS NMR spectra of half-integer quadrupolar nuclei”, Magn. Reson. Chem., 41: 679-688 (2003).

11) Malicki, L., Mafra, L., Quoineaud, A.-A., Thibault-Starzyk, F., Rocha, J. and Fernandez, C., “Multiplex MQMAS NMR of quadrupolar nuclei”, Solid State NMR, 28: 13-21 (2005).

12) Mafra, L., Rocha, J., Fernandez, C. and Paz, F. A. A., “Characterisation of microporous aluminophosphate IST-1 using 1H Lee-Goldburg techniques”, J. Magn. Reson., 180: 235-243 (2006).

13) Coelho C., Rocha, J, Madhu, P. K. and Mafra L., “Practical aspects of Lee-Goldburg based CRAMPS techniques for high-resolution 1H NMR spectroscopy in solids: implementation and applications”, J. Mag Reson., 194: 264-282 (2008).

14) Morais C. M., Montouillout, V., Deschamps M., Iuga, D., Fayon, F., Paz, F. A. A., Rocha, J., Fernandez, C., and Massiot, D., “1D to 3D NMR study of microporous alumino-phosphate AlPO4-40”, Magn. Reson. Chem., 47: 942-947 (2009). 

                                                         

 

 

15) Siegel, R., Rocha, J., Mafra, L., "Combining STMAS and CRAMPS NMR spectroscopy: high resolution HETCOR NMR spectra of quadrupolar and H-1 nuclei in solids", Chem. Phys. Lett., 470: 337-341 (2009).

16) Mafra, L., Coelho, C., Siegel, R., Rocha, J, “Assessing the performance of windowed 1H CRAMPS methods, on biological solids, at high-field and MAS up to 35 kHz ” J. Mag. Reson., 197: 20-27 (2009).

17) Mafra, L., Siegel, R., Fernandez, C., Schneider, D., Aussenac, F., Rocha, J., “High-resolution 1H homonuclear dipolar recoupling NMR spectra of biological solids at MAS rates up to 67 kHz”, J. Mag. Reson., 199: 111-114 (2009).

18) Sardo, M., Siegel, R., Santos, S. M., Rocha, J., Gomes, J. R. B., Mafra, L., “Combining multinuclear high-resolution solid-state MAS NMR and computational methods for resonance assignment of glutathione tripeptide”, J. Phys. Chem. A, 116: 6711-6719 (2012).

                                                         

19) Santos, S. M., Rocha, J., Mafra, L., “NMR Crystallography: chemical shift-driven crystal structure determination of β-lactam antibiotic amoxicillin trihydrate”, Cryst. Grow Design, DOI: 10.1021/cg4002785.

      

 

 
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