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 Journal2005, 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


“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.

“Chemoselective Hydrogenation of Aldehydes under Mild, Base-Free Conditions - Manganese Outperforms Rhenium”
Mathias Glatz, Berthold Stöger, Daniel Himmelbauer, Luis F. Veiros, Karl Kirchner;
   ACS Catalysis 2018, 8 (5), 4009–4016.

“Pd-Catalyzed C-H Alkenylation and Allylation of Azine N-Oxides with Allyl Acetates”
Fares Roudesly, Luis F. Veiros, Julie Oble, Giovanni Poli;
   Organic Letters 2018, 20 (8), 2346–2350.

“Lewis Base-Catalyzed Intramolecular Reduction of Salicylaldehydes by Pinacol-Derived Chlorohydrosilane”
Benedicta Assoah, João R. Vale, Elina Kalenius, Luis F. Veiros, Nuno R. Candeias;
   European Journal of Organic Chemistry 2018 (23), 2910–2917.

“Reversible Ligand Protonation of a Mn(I) PCP Pincer Complex to Afford a Complex with an η2-Caryl-H Agostic Bond”
Daniel Himmelbauer, Berthold Stöger, Luis F. Veiros, Karl Kirchner;
   Organometallics accepted.

“Thiopyridazine-Based Palladium and Platinum Boratrane Complexes”
Stefan Holler, Michael Tüchler, Beate G. Steller, Ferdinand Belaj, Luis F. Veiros, Karl Kirchner, Nadia C. Mösch-Zanetti;
   Inorganic Chemistry 2018, 57 (12), 6921–6931.

“Iron PCP Pincer Complexes in Three Oxidation States: Reversible Ligand Protonation to Afford an Fe(0) Complex with an Agostic C-H Arene Bond”
Daniel Himmelbauer, Matthias Mastalir, Berthold Stöger, Luis F. Veiros, Marc Pignitter, Veronika Somoza, Karl Kirchner;
Inorganic Chemistry  2018, 57 (13), 7925–7931.

“Hydroboration of terminal olefins with pinacolborane catalyzed by new mono(2-iminopyrrolyl) cobalt(II) complexes”
Tiago F. C. Cruz, Patrícia S. Lopes, Laura C. J. Pereira, Luís F. Veiros, Pedro T. Gomes;
   Inorganic Chemistry accepted.