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Laboratory for the Study of Chemical

Structure and Nanotecnology

at UFRJ since 2002

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This is the complete list of Prof. Esteves papers. Some of the references have links to the abstract in the actual journal, which is convenient in order to retrieve the PDF copies in case you are a subscriber of the given journal.

Books

Paulo R. R. Costa, Vitor F. Ferreira, Pierre M. Esteves and Mário L. A. A Vasconcellos Ácidos e Bases em Química Orgânica, Bookman, 2005, Porto Alegre, Brazil

ISBN 85-363-0533-9

Index

Bookman site

Publications

 

1991-2000 2001 2002
2003
2006 2007  

Publications
# Article  
2007
51 Anisotropic and Hydrogen Bonding Effects in Phenylglyoxyamides and Mandelamides: Theoretical and NMR Conformational Evaluation, Goncalves, B. T.; Esteves, P. M.; Pinto, A. C.; da Silva, F. L.; Kaiser, C. R.;da Silva, J. F. M.Mag. Resson. Chem. 2007, submitted 00 , 0000-0000.  
50 Aza-Nazarov Reaction and the Role of Superelectrophiles, Klumpp, D. A.; Zhang, Y.; O'Connor, M. J.; Esteves, P. M.; de Almeida, L. S. Org. Lett.2007, submitted 00 , 0000-0000.  
49 Triiodoisocyanuric acid: a new and convenient reagent for regioselective coiodination of alkenes, Ribeiro, R. S.; Esteves, P. M.; de Mattos, M. C. S. Tetrah. Lett. 2007, submitted 00 , 0000-0000.  
48 Efficient Electrophilic Bromination of Alkenes and Benzene Rings with Bromodichloroisocyanuric Acid under Mild Conditions, de Almeida, L. S.; Esteves, P. M.; de Mattos, M. C. S. Synlett 2007, accepted 00 , 0000-0000.  
47 Density Degeneracy-Delocalization-Based Index of Aromaticity D3BIA, Firme, C. L.; Antunes, O. A. C.; Esteves, P. M. J. Braz. Chem. Soc. 2007, accepted 00 , 0000-0000.  
46 Sigma Aromaticity in Three-Membered Rings Compounds, Firme, C. L.; Antunes, O. A. C.; Esteves, P. M. J. Braz. Chem. Soc. 2007, submitted 00 , 0000-0000.  
45 Theoretical Studies on Structure and Dynamics of Carbonium Ions, Fleming, F. P.; Barbosa, A. G. H. ; Esteves in ACS Symposium Series No. 965 Recent Developments in Carbocation and Onium Ion Chemistry, Laali, K. K. (ed.) , 2007, 00(00), in press 000-000. ISBN: 978-0-8412-7414-3  

44

 The Morita-Baylis-Hillman Mechanism: A DFT Study, de Souza, R. O. M. A; Fleming, F. P.; Esteves, P. M.; Vasconcellos, M. L. A. A. Tetrahedron 2007, submitted 00 , 0000-0000.  
43

Reply to 'Comments to "The Nature of Chemical Bond in Protonated Methane"', Fleming, F. P.; Barbosa, A. G. H. ; Esteves J. Phys. Chem. A 2007, 111(15), 2971-2971. (http://dx.doi.org/10.1021/jp0685131)

  
42 Trihaloisocyanuric Acids / NaX: an Environmentaly Friendly System for Vicinal Dihalogenation of Alkenes without Using Molecular Halogen, Tozzetti, S. D. F.; de Almeida, L. S.; Esteves, P. M.; de Mattos, M. C. S. J. Braz. Chem. Soc. 2007, submitted 00 , 0000-0000.  
2006
41

Formation of Substituted N-oxide Hydroxyquinolines from o-Nitrophenyl Baylis-Hillman adduct: A New key Intermediate Intercepted by ESI(+)-MS(/MS) Monitoring., G. W. Amarante, M. Benassi Neto, A. A. Sabino, P. M. Esteves, F. Coelho, M. N. Eberlin Tetrah. Letters 2006, 47, 8427-8431. (http://dx.doi.org/10.1016/j.tetlet.2006.09.037)

  

40

 The Nature of Chemical Bond in Protonated Methane, Fleming, F. P.; Barbosa, A. G. H. ; Esteves J. Phys. Chem. A 2006, 110(43), 11903-11905. (http://dx.doi.org/10.1021/jp0654260)  
39
Allenediazonium Ions and their Protonation Chemistry: A DFT Study, de Souza, R. O. M. A. S.; Esteves, P. M.; Laali, K. K. Org. Biom. Chem. 2006, 4, 4444-4452. (http://dx.doi.org/10.1039/b611304b)
  

38

 Experimental and DFT Study of the Partial Oxidation of Benzene by N2O over H-ZSM-5: Acid Catalyzed Mechanism, Esteves, P. M.; Louis, B. J. Phys. Chem. B 2006, 110(33), 16793-16800. (http://dx.doi.org/10.1021/jp062715f).  
37
Electrophilic Aromatic Nitration: Understanding Its Mechanism and Substituent Effects, Queiroz, J. F.; Carneiro, J. W. M.; Sabino A. A.; Sparapan, R.; Eberlin, M. N.; Esteves, P. M. J. Org. Chem. 2006, 71(16), 6192-6203.(http://dx.doi.org/10.1021/jo0609475)
  

36

 Tribromoisocyanuric Acid: A New Reagent for Regioselective Cobromination of Alkenes, Almeida, L. S. de; Esteves, P. M.; Mattos, M. C. S. Synlett 2006, 10, 1515-1518. (http://dx.doi.org/10.1055/s-2006-941601).  
35 BF3.2CF3CH2OH (BF3.2TFE), an Efficient Superacidic Catalyst for Some Organic Synthetic Transformations, Esteves, P. M. ; Prakash, G. K. S.; Mathew, T.; Marinez, E. R. ; Rasul, G.; Olah, G. A . J. Org. Chem. 2006, 71(10), 3952-3958. (http://dx.doi.org/10.1021/jo0604181)  
34 Hexamethylenetetramine-Ionic Liquids Combined Systems to Catalyze Baylis–Hillman Reactions, de Souza, R. O. M. A; Sequeira, L. C.; Pereira, V. L. P.; Fregadolli, P. H.; Filho, l. C.; Esteves, P. M.; Vasconcellos, M. L. A. A.; Antunes, O. A. C. Letters in Organic Chemistry, 2006, 3, 936-939.  
33 A New Regioselective Bromination of Activated Aromatic Rings, Almeida, L. S. de; Esteves, P. M.; Mattos, M. C. S. Synthesis 2006, No 2 , 221-223. (http://www.thieme-connect.com/ejournals/pdf/synthesis/doi/10.1055/s-2005-918511.pdf) [Among Top 10 most downloaded 2006 !!! ]  
2005
32 Ab initio Molecular Dynamics: Plane waves vs. local basis. The Role of energy cutoff on the convergence of molecular properties, Esteves, P. M. ; Solis, Alejandro Ramirez ; Raynaud, Christophe ; Maron, Laurent ; Jolibois, Franck; Daudey, Jean-Pierre .Chem. Phys. Lett. 2005, 414 (1-3), 161-165. (http://dx.doi.org/10.1016/j.cplett.2005.08.034)  
31 Trichloroisocyanuric Acid in H2SO4 : an Efficient Superelectrophilic Reagent for Chlorination of Isatin and Aromatic Compounds, Mendonca, G. F.; Magalhaes, R. R.; Mattos, M. C. S.; Esteves, P. M. J. Braz. Chem. Soc. 2005, 16 (4), 695-698. (http://jbcs.sbq.org.br/online/2005/vol16_n4/02-076-05.pdf)  
30 The Isobutylene-Isobutane Alkylation Process in Liquid HF Revisited, Esteves, P. M.; Araújo, C. L. ; Horta, B. A. C.; Alvarez, L. J.; Zicovich-Wilson, C. M.; Ramirez-Solis, A. J. Phys. Chem. B 2005, 127 (24), 12946-12955. (http://dx.doi.org/10.1021/jp051567a)  
29 Neutral structures having a planar-tetracoordinated carbon based on spiropentadienes analogues, Esteves, P. M.; Ferreira,N. B. P., Correa, R. J. J. Am. Chem. Soc. 2005, 127 (4), 8680-8685. (http://dx.doi.org/10.1021/ja042971a)  
2004
28 N-Halosuccinimide/BF3-H2O, Efficient New Electrophilic Halogenating Systems for Aromatics, Prakash, G. K. S.; Mathew, T.; Hoole, D.; Esteves, P. M.; Wang, Q.; Rasul, R; and Olah, G. A. J. Am. Chem. Soc. 2004, 126(48),15770-15776. (http://dx.doi.org/10.1021/ja0465247)  
27 In Search of Phosphavinyl Cations – A DFT Study of Electrophilic Attack on Phosphaacetylenes, Esteves, P. M.; and Laali, K. K. Organometallics 2004, 23, 3701-3713. (http://dx.doi.org/10.1021/om049876v)  
26 Carbocationic Rearrangement of Pivaloyl Cation and Protonated Pivalaldehyde in Superacid Medium: A Novel Solution Equivalent of McLafferty Rearrangement, Olah, G. A.; Mathew, T.; Esteves, P. M.; Goeppert, A.; Rasul, G. and Prakash, G. K. S. J. Mass. Spectrom. Soc. 2004, 15(7), 959-965. (http://dx.doi.org/10.1016/j.jasms.2004.05.002)  
2003
25 Unified Mechanism Concept of Electrophilic Aromatic Nitration Revisited: Convergence of Computational Results and Experimental Data, Esteves, P. M.; Carneiro, J. W. M.; Cardoso, S. P.; Barbosa, A. G. H.; Laali, K. K.; Rasul, G.; Prakash, G. K. S.; e Olah, G. A. J. Am. Chem. Soc. 2003, 125(16),4836-4849. (http://dx.doi.org/10.1021/ja021307w)  
2002
24 Efficient Chemoselective Carboxylation of Aromatics to Arylcarboxylic Acids with Superelectrophilically Activated Carbon Dioxide—Al2Cl6/Al System, Olah, G. A.; Torok, B.; Joschek, J. P.; Bucsi, I.; Esteves, P. M.; Rasul, G. and Prakash, G. K. S. J. Am. Chem. Soc. 2002, 124(11), 11379-11391. (http://dx.doi.org/10.1021/ja020787o)  
23 The Nature of Superacid Electrophilic Species in HF/SbF5: A DFT Study, Esteves, P. M.; Ramirez-Solis A.; and Mota, C. J. A. J. Am. Chem. Soc. 2002, 124(11), 2672-2677. (http://dx.doi.org/10.1021/ja011151k)  
22 Ab Initio Topological Analysis of the Electronic Density in n-Butonium
Cations and their van der Waals Complexes, Okulik, N. B.; Sosa, L. G.; Esteves, P. M.; Mota, C. J. A.; Jubert, A. H.; and Peruchena, N. M. J. Phys. Chem. A 2002, 106 (8), 1584-1595. (http://dx.doi.org/10.1021/jp0130665)		  
2001
21 Acid Catalyzed Isomerization of Pivaldehyde to Methyl Isopropyl Ketone via a Reactive Protosolvated Carboxonium Ion Intermediate, Olah, G. A.; Mathew, T.; Marinez, E. R.; Esteves, P. M.; Etzkorn, M.; Rasul, G.; and Prakash, G. K. S. J. Am. Chem. Soc. 2001, 123(47), 11556-11561. (http://dx.doi.org/10.1021/ja011253a)  
20 A Topological Study of the Transition States of the Hydrogen Exchange and Dehydrogenation Reactions of Methane on a Zeolite Cluster, Okulik, N. B.; Pis Diez, R.; Jubert, A.; Esteves, P. M.; and Mota, C. J. A. J. Phys. Chem. A 2001, 105(29), 7079-7084. (http://dx.doi.org/10.1021/jp0046142)  
19 DFT Calculations on the Protonation of Alkanes on HF/SbF5 Superacids Using Cluster Models, Esteves, P. M.; Ramirez-Solis, A.; and Mota, C. J. A. J. Phys. Chem. B 2001, 105(19), 4331-4336. (http://dx.doi.org/10.1021/jp004310f)  
18 The Adamantonium Cation: Protonated Adamantane, Esteves, P. M.; Alberto, G. G. P.; Ramirez-Solis A.; and Mota, C. J. A. J. Phys. Chem. A 2001, 105(17), 4308-4311. (http://dx.doi.org/10.1021/jp003431c)  
1991-2000
17 A Theoretical Study of s Bond Protonation in Superacids, Esteves, P. M.; Ramí²¥irez Solis,í³¬ A.; and Mota, C. J. A. J. Braz. Chem. Soc. 2000, 11 (4), 345-348. (http://jbcs.sbq.org.br/jbcs/2000/vol11_n4/02.pdf)  
16 Ab Initio Topological Analysis of the Electronic Density in Proponium Cations, Okulik, N.; Peruchena, N. M.; Esteves, P. M; Mota, C. J. A.; and Jubert, A. J. Phys. Chem. A 2000, 104(32), 7586-7592. (http://dx.doi.org/10.1021/jp9941662)  
15 The Butonium cation (n-C4H11+): The Potential Energy Surface of Protonated n-Butane, Esteves, P. M.; Alberto, G. G. P.; Ramirez-Solis A.; and Mota, C. J. A. J. Phys. Chem. 2000, 104(26), 6233-6240. (http://dx.doi.org/10.1021/jp001152j)  
14 Protonation of Small Alkanes in Liquid Superacids: Absence of Intramolecular 13C and 2H Scrambling in Propane and Isobutane, Esteves, P. M.; Goeppert, A.; Sassi, A.; Sommer, J.; Karlsson, A.; Ahlberg, P.; and Mota, C. J. A. J. Am. Chem. Soc. 1999, 10628-10629. (http://dx.doi.org/10.1021/ja991674g)  
13 The Reactivity of Alkanes on Zeolites. A Theoretical ab initio Study of the H/H Exchange, Esteves, P. M.; Nascimento, M. A. C.; and Mota, C. J. A. J. Phys. Chem. B. 1999, 103, 10417-10420. (http://dx.doi.org/10.1021/jp990555k)  
12 The Alkane s Bond Basicity Scale Revisited, Esteves, P. M; Alberto, G. G. P. Ramirez-Solis A.; and Mota, C. J. A. J. Am. Chem. Soc. 1999, 121, 7345-7348. (http://dx.doi.org/10.1021/ja9906812)  
11 Ab Initio Topological Analysis of the Electronic Density in Isobutonium Cations, Okulik, N.; Peruchena, N. M.; Esteves, P. M; Mota, C. J. A.; and Jubert, A. J. Phys. Chem. A 1999, 103, 8491-8495. (http://dx.doi.org/10.1021/jp991360f)  
10 Synthesis of deuterium labeled isobutane, isobutane-2-d, isobutane-1-d9 and isobutane-d10, Sassi, A.; Goeppert, A.; Sommer, J.; Esteves, P. M; and Mota, C. J. A. J. Labelled Compd. Rad. 1999, 42, 1023-1030. (http://www3.interscience.wiley.com/cgi-bin/fulltext/67501774/PDFSTART)  
9 Mechanism of Superacid Catalyzed Alkane Activation. Theoretical Ab Initio Studies of Pentacoordinated Carbonium Ion Rearrangement, Esteves, P. M; e Mota, C. J. A.; Ramirez-Solis A.; and Hernandez-Lamoneda, R., Topics In Catal. 1998, 6(1-4), 163-168. (http://dx.doi.org/10.1023/A:1019166423058)  
8 Potential Energy Surface of the C3H9+ Cations. Protonated Propane, Esteves, P. M; and Mota, C. J. A.; Ramirez-Solis A.; and Hernandez-Lamoneda, R., J. Am. Chem. Soc. 1998, 120, 3213-3219. (http://dx.doi.org/10.1021/ja973784y)  
7 Protonated Isobutane. A theoretical Ab Initio Study of the Isobutonium Cations, Esteves, P. M; and Mota, C. J. A.; Ramirez-Solis A.; and Hernandez-Lamoneda, R., J. Am. Chem. Soc. 1997, 119(22), 5193-5199. (http://dx.doi.org/10.1021/ja963767t)  
6 Theoretical Studies of the Electrostatic Effect on Carbocations Adsorbed over Zeolitic Sites, Esteves, P. M; and Mota, C. J. A. J. Molec. Eng., 1997, 7, 429-438. (http://dx.doi.org/10.1023/A:1008224428489)  
5 Theoretical Studies of Carbocations Adsorbed over a Large Zeolitic Cluster. Implications on Hydride Transfer Reactions, Esteves, P. M.; de Amorim, M. B.; and Mota, C. J. A., J. Phys. Chem., 1996, 100(30), 12418-12423. (http://dx.doi.org/10.1021/jp952280o)  
4 Protonation of Alkanes over Zeolites: An Experimental and Theoretical Approach, Mota, C. J. A.; Nogueira, L.; Esteves, P. M.; Kover, W. B. in Atualidades em Fisico-Quimica Organica - 1995, J. J. E. Humeres (ed.), UFCS, Florianopolis, 1995, 512-525.  
3 Estudos teoricos de Carbocations Adsorvidos sobre Sitios Zeoliticos, Esteves, P. M; and Mota, C. J. A. Revista de La Soc. Venez. Catal., 1994, 8, 23-27.  
2 P. M. Esteves, M. A. C. Nascimento, Claudio J. A. Mota. "Theoretical Studies on the Effect of Site Proximity on the Zeolite Y Acid Strength". Proceedings of the 12th International Zeolite Conference. M. M. J. Treacy, B. K. Marcus, M. E. Bisher, J. B. Higgins (eds.), MRS, Warrendale 1999 pp 429-436.  
1 Enantioselective Synthesis of Substituted Octalones, Esteves, P. M; Sequeira, L.C.; Costa, P. R. R.; and Neves, A., Tetrahedron Asymmetry, 1994, 5(8), 1433-1434. (http://dx.doi.org/10.1016/0957-4166(94)80104-5)  

 

 

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