Luis Filipe Veiros

Assistant Professor

(b. 1963)

Web of Knowledge researcher ID: H-8280-2012
Google Scholar profile
: 0000-0001-5841-3519
Scopus ID: 6701545795


Departamento de Engenharia Química
Instituto Superior Técnico
Universidade Técnica de Lisboa
 Av. Rovisco Pais
 P - 1049-001 Lisboa
elefone: (+351) 21 841 92 83 (ext.: 3283)
Fax: (+351) 21 846 44 55



Scientific Interests

The use of the modern computational methods of quantum  chemistry to study organic chemistry and transition metal organometallic chemistry.
Molecular orbital calculations are used to study molecular structure and reactivity problems. The geometric changes driven by electronic structure modifications on the molecules may be rationalized from the molecular orbital results. For example, in an organometallic complex, some ligands may adapt their coordination mode to the metal as a function of the total electron count on the coordination sphere. This can vary by means of a reduction or an oxidation of the molecule, or by ligand addition or elimination, in processes that take part in many relevant organometallic reactions, such as catalytic reactions. Computational chemistry studies have been used to provide an important contribution to the fully understanding of those problems.
Computational methods are also used to study mechanistic and reactivity problems, allowing the detailed analysis of very unstable species, such as intermediates or transition states, and providing information that cannot be obtained by experimental studies. The results provide a detailed picture of the reaction path and the corresponding energetic, and may be used to tailor improved reaction methods. 

Computational methods

The electronic structure is studied by means of ab initio and DFT molecular orbital calculations complemented with populational and orbital analysis that can provide usefull chemical interpretation to the quantitative 'crude' results of the calculations (geometries and energies).


Teaching Assignments (2016/2017):

Selected Publications


"Mechanism for the Cyclotrimerization of Alkynes and Related Reactions Catalyzed by CpRuCl."; 

Karl Kirchner, Maria José Calhorda, Roland Schmid, Luís F. Veiros

    Journal of the American Chemical Society 2003, 125, 1172111729.

"Zirconium bis(indenyl) sandwich complexes with an unprecedented indenyl coordination mode and their role in the reactivity of the parent bent metallocenes. A detailed DFT mechanistic study.";

Luís F. Veiros;

    Chemistry - A European Journal 2005, 11, 25052518.

“Stereoselective Gold(I) Domino Catalysis of Allylic Isomerization and Olefin Cyclopropanation: Mechanistic Studies”
Sebastian Klimczyk, Xueliang Huang, Hanspeter Kählig, Luís F. Veiros, Nuno Maulide;
    The Journal of Organic Chemistry 2015, 80 (11), 5719–5729.

Recent Publications


“Dinuclear Systems in the Efficient Nickel-Catalyzed Kumada-Tamao-Corriu Cross Coupling of Aryl Halides”
Kouki Matsubara, Hitomi Yamamoto, Satoshi Miyazaki, Takahiro Inatomi, Keita Nonaka, Yuji Koga, Yuji Yamada, Luis F. Veiros, Karl Kirchner;
    Organometallics 2017, 36 (2), 255–265.

“Murai Reaction on Furfural Derivatives Enabled by Removable N,N’-Bidentate Directing Groups”
Cristofer Pezzetta, Luis F. Veiros, Julie Oble, Giovanni Poli;
    Chemistry – A European Journal 2017, 23 (35), 8385–8389.

“Carbon Dioxide Hydrogenation Catalysed by Well-defined Mn(I) PNP Pincer Hydride Complexes”
Federica Bertini, Mathias Glatz, Nikolaus Gorgas, Berthold Stöger, Maurizio Peruzzini, Luis F. Veiros, Karl Kirchner, Luca Gonsalvi;
    Chemical Science 2017, 8 (7), 5024–5029.

“Stable, Yet Highly Reactive Non-classical Iron(II) Polyhydride Pincer Complexes: Z-Selective Dimerization and Hydroboration of Terminal Alkynes”
Nikolaus Gorgas, Luis G. Alves, Berthold Stöger, Ana M. Martins, Luis F. Veiros, Karl Kirchner;
    Journal of the American Chemical Society 2017, 139 (24), 8130–8133.

“Modular Assembly of Reversible Multivalent Targeting Drug Conjugates”
Fábio M. F. Santos, Ana I. Matos, Ana E. Ventura, João Gonçalves, Luís F. Veiros, Helena F. Florindo, Pedro M. P. Gois;
    Angewandte Chemie International Edition 2017, 56 (32), 9346–9350.

“Accessing two-coordinate Zn(II) Organocations via NHC coordination: synthesis, structure and use as π-Lewis acids in alkene, alkyne, and CO2 hydrosilylation”
Samuel Dagorne, David Specklin, Frederic Hield, Christophe Fliedel, Christophe Gourlaouin, Luis F. Veiros;
    Chemistry – A European Journal 2017, 23 (63), 15908–15912.

“Three-Fold Symmetric Selenium-Donor Metallaboratranes of Cobalt and Nickel”
Stefan Holler, Michael Tüchler, Michaela C. Roschger, Ferdinand Belaj, Luis F. Veiros, Karl Kirchner, Nadia C. Mösch-Zanetti;
   Inorganic Chemistry 2017, 56 (21), 12670–12673.

“Hydrogen generation via activation of X-H bonds in ammonia and water by an Mo(I) complex”
Nuno A. G. Bandeira, Luís F. Veiros, Carles Bo;
   ChemistrySelect 2017, 2 (34), 11071–11082.

“Displacement of η5-cyclopentadienyl ligands from half-sandwich C,C-(NHC-cyanoalkyl)–nickel(II) metallacycles: further insight into the structure of the resulting Cp-free nickelacycles and a catalytic activity study”
Bernardo de P. Cardoso, Jean-Marie Bernard-Schaaf, Saurabh Shahane, Luis F. Veiros, Michael J. Chetcuti, Vincent Ritleng;
   Dalton Transactions 2018, 47 (5), 1535–1547.

“Formation of Mono Oxo Molybdenum(IV) PNP Pincer Complexes: Interplay between Water and Molecular Oxygen”
Sara R. M. M. de Aguiar, Özgür Öztopcu, Anna Troiani, Giulia de Petris, Matthias Weil, Berthold Stöger, Ernst Pittenauer, Günter Allmaier, Luis F. Veiros, Karl Kirchner;
   European Journal of Inorganic Chemistry 2018 (7), 876–884.