Luis Filipe Veiros

Associate 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 (2018/2019):

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 Journal2005, 11, 25052518.

“Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes”
Nikolaus Gorgas, Berthold Stöger, Luis F. Veiros, Karl Kirchner;
ACS Catalysis 2018, 8 (9), 7973–7982.

Recent Publications

“Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes”
Tiago F. C. Cruz, Laura C. J. Pereira, João C. Waerenborgh, Luís F. Veiros, Pedro T. Gomes;
Catalysis Science & Technology 2019, 9 (13), 3347–3360.

“Access to Fe(II) Bis(σ-B-H) Aminoborane Complexes via Protonation of a Borohydride Complex and Dehydrogenation of Amine-Boranes”
Nikolaus Gorgas, Berthold Stöger, Luis F. Veiros, Karl Kirchner;
Angewandte Chemie International Edition 2019, 58 (39), 13874–13879.

“Rethinking Basic Concepts – Hydrogenation of Alkenes Catalyzed by Bench-Stable Alkyl Mn(I) Complexes”
Stefan Weber, Berthold Stöger, Luis F. Veiros, Karl Kirchner;
ACS Catalysis 2019, 9 (11), 9715−9720.

“Efficient Z-Selective Semi-Hydrogenation of Internal Alkynes Catalyzed by Cationic Iron(II) Hydride Complexes”
Nikolaus Gorgas, Julian Brünig, Berthold Stöger, Stefan Vanicek, Mats Tilset, Luis F. Veiros, Karl Kirchner;
Journal of the American Chemical Society 2019, 141 (43), 17452−17458.

“Base‐Initiated Formation of FeI PNP Pincer Complexes”
Mathias Glatz, Berthold Stöger, Bernhard Bichler, Gerald Bauer, Luis F. Veiros, Marc Pignitter, Karl Kirchner;
European Journal of Inorganic Chemistry 2020, (11-12), 1101−1105.

“Old Concepts, New Application - Additive-free Hydrogenation of Nitriles Catalyzed by an Air Stable Alkyl Mn(I) Complex”
Stefan Weber, Luis F. Veiros, Karl Kirchner;
Advanced Synthesis & Catalysis 2019, 361 (23), 5412−5420.

“Cr(II) and Cr(I) PCP Pincer Complexes: Synthesis, Structure, and Catalytic Reactivity”
Daniel Himmelbauer, Berthold Stöger, Luis F. Veiros, Marc Pignitter, Karl Kirchner;
Organometallics 2019 38 (24) 4669-4678.

“Ru-Catalyzed Carbonylative Murai Reaction: Directed C3-Acylation of Biomass-Derived 2-Formyl Heteroaromatics”
Roberto Sala, Fares Roudesly, Luis F. Veiros, Gianluigi Broggini, Julie Oble, Giovanni Poli;
Advanced Synthesis & Catalysis 2020, 362 (12), 2486−2493.

“Assistance of DFT calculations on the design and rationalization of active pharmaceutical ingredients synthesis – Michael Addition-Isomerization Steps in Oseltamivir Synthesis”
Pedro Paulo Santos, Luís F. Veiros;
Tetrahedron accepted.

“Engineering Boron Hot Spots for the Site-Selective Installation of Iminoboronates on Peptide Chains”
Roberto Russo, Rita Padanha, Fábio Fernandes, Luis F. Veiros, Francisco Corzana, Pedro M. P. Gois;
Chemistry - A European Journal accepted.