Degree: Habilitation



Luís M. N. B. F. Santos (Luis Belchior Santos). Completed the PhD in Chemistry in 1996 by University of Porto, Faculty of Science and the degree in Chemistry in 1987 by Faculty of Science University of Porto. Is Associate Professor (with Habilitation) in the Faculty of Science of the University of Porto (Physical-Chemistry Group at the Department of Chemistry and Biochemistry). Leader of the NSO (Nanostructure and Self Organization) research group at CIQUP. Participates and/or participated as Invited Scientist Fellow In the MPI-PKS Max Planck Institut in Dresden Germany. Works in the area(s) of Science and Chemical Engineering with emphasis on Physical Chemistry and Materials Science. Is internationally recognized for his work in the field of molecular energetics, in the study of thermophysical properties of materials, in particular for his contribution to the interpretation of nanostructuration in ionic liquids. He is also recognized for his studies and developments in the field of new experimental methodologies in the areas of calorimetry, thermophysics and thermoanalysis. Published 198 articles in journals. Has 2 book(s). Has received 5 awards and/or honors. Successful supervision of 8 PhD students. Some CV indicators: H=41; H100=21; > 7000 citations | (February 2022). In their professional activities interacted with 220 collaborator(s) co-authorship of scientific papers. Chairman & Organizer of ECTP 2014 - European Conference on Thermophysical Properties. Organizer and Chair of ILWS2017 winter school on ionic liquids. 

CIQUP  |  Centro de Investigação em Química (FCUP) 
IMS |  Institute of Molecular Sciences

SCOPUS, Author ID: 7202567010



Showing 5 latest publications. Total publications: 221
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1. Liquefying Flavonoids with Terpenoids through Deep Eutectic Solvent Formation, Teixeira, G; Abranches, DO; Silva, LP; Vilas-Boas, SM; Pinho, SP; Ferreira, AIMCL Santos, LMNBF Ferreira, O; Coutinho, JAP in MOLECULES, 2022, ISSN: 1420-3049,  Volume: 27, 
Article,  Indexed in: crossref, scopus, wos  DOI: 10.3390/molecules27092649 P-00W-J7G
Abstract The formation of deep eutectic solvents (DES) is tied to negative deviations to ideality caused by the establishment of stronger interactions in the mixture than in the pure DES precursors. This work tested thymol and menthol as hydrogen bond donors when combined with different flavonoids. Negative deviations from ideality were observed upon mixing thymol with either flavone or flavanone, two parent flavonoids that only have hydrogen bond acceptor (HBA) groups, thus forming non-ionic DES (Type V). On the other hand, the menthol systems with the same compounds generally showed positive deviations from ideality. That was also the case with the mixtures containing the more complex hydroxylated flavonoid, hesperetin, which resulted in positive deviations when mixed with either thymol or menthol. COSMO-RS successfully predicted the behavior of the solid-liquid phase diagram of the studied systems, allowing for evaluation of the impact of the different contributions to the intermolecular interactions, and proving to be a good tool for the design of DES.

2. μ FlowCal – High‐Resolution Differential Flow Microcalorimeter for the Measurement of Heats of Mixing, Vaz, ICM; Torres, MC; Silva, FMT; Carpinteiro., FS; Santos, LMNBF in Chemistry–Methods, 2022, ISSN: 2628-9725,  Volume: 2, 
Article,  Indexed in: crossref  DOI: 10.1002/cmtd.202200020 P-00X-RE8

3. Enthalpy of solvation of alkali metal salts in a protic ionic liquid: Effect of cation charge and size, Parajo, JJ; Otero-Mato, JM; Ferreira, AIMCL Varela, LM; Santos, LMNBF in JOURNAL OF MOLECULAR LIQUIDS, 2022, ISSN: 0167-7322,  Volume: 360, 
Article,  Indexed in: crossref, scopus, wos  DOI: 10.1016/j.molliq.2022.119228 P-00W-MH8
Abstract An experimental and theoretical study of solution and solvation of mono-and divalent alkali metal cations in the protic ionic liquid (IL) ethylammonium nitrate (EAN) is reported. High precision solution-reaction calorimetry was used to obtain the heat of solvation, which was used for the analysis of the thermodynamics. A close relation between the structure of the salts in the crystalline phase and its enthalpy of solvation in the IL is reported. A detailed picture of the molecular environments in the solvation shells around the metal cations is provided by means of molecular dynamics simulations. The analysis of the energetics and structure of solvation confirms the well-known water-like solvation properties of EAN, with the solvation shell around the metal cations in both media being very similar. On the other hand, the results show that it is energetically more favourable to solvate smaller cations with higher valence. Indeed, the simulations show that the long-range electrostatic interactions are the main contribution to solvation interaction, with the electric field at the surface of the alkali metal cations as the basic magnitude controlling it.

4. The effect of oxidation state and tert-butyl substituents on the thermal behavior and thin-film morphology of cobalt-complexes (FK 102 and FK 209), Costa, JCS Carvalho, RM; Silva, RMA; Lobo Ferreira, AIMC Santos, LMNBF in Journal of Chemical Thermodynamics, 2022, ISSN: 0021-9614,  Volume: 174, 
Article,  Indexed in: crossref, scopus, unpaywall  DOI: 10.1016/j.jct.2022.106856 P-00W-V1G
Abstract This work reports the thermodynamic and morphological study and characterization of four salts consisting of a divalent/trivalent cobalt complex with pyrazole-pyridine ligands (FK 102 and FK 209 samples) and bis(trifluoromethylsulfonyl)imide (TFSI) moieties as counter anions. The oxidation state of the central metal (Co(II) or Co(III)) and the presence of tert-butyl (t-Bu) groups in the ligand structure were found to have a strong impact on the thermal behavior, phase stability, heat capacities, and thin-film morphology of each salt. The Co(II) complexes exhibited good thermal stability up to 600 K. Lower thermal stability was observed for the Co(III) congeners. The FK 209 Co(III) displayed a higher melting temperature but a partial decomposition during or above melting was detected. The higher melting temperatures observed for the Co(III) complexes were found to be entropically driven. However, the addition of t-Bu in the ligand (FK 209) leads to an increase in the melting temperature, which is driven by the enthalpy of fusion. The four compounds studied evidenced a large glass-forming ability. Moreover, the thermal stability of the glassy state was clearly increased when the ligands comprised t-Bu groups. The contribution of the t-Bu group for the molar heat capacity in the solid phase, at T = 298.15 K, was found to be (110 ± 3) J·K−1·mol−1 and (98 ± 4) J·K−1·mol−1 for the Co(II) and Co(III) complexes, respectively. These results are in good agreement with the contribution of the t-Bu group observed for both solid and liquid phases in other materials, indicating that the t-Bu groups are relatively unhindered in the crystalline phase of the salts. The morphological behavior of the thin films of FK 102 samples was found to be quite similar to the observed for typical ionic liquids, with the formation of micro- and nanodroplets onto different substrates. The introduction of t-Bu substituents in the ligand structure was found to have a strong impact on the formation of homogeneous and compact nanofilms for the FK 209 salts. © 2022 Elsevier Ltd

5. C2 methylation effect on the cohesive interaction of trifluoromethanesulfonate alkylimidazolium ionic liquidC2 methylation effect on the cohesive interaction of trifluoromethanesulfonate alkylimidazolium ionic liquids, Miranda, CFP; Ferreira, AIMCL Santos, LMNBF in JOURNAL OF MOLECULAR LIQUIDS, 2022, ISSN: 0167-7322,  Volume: 353, 
Article,  Indexed in: crossref, scopus, wos  DOI: 10.1016/j.molliq.2022.118772 P-00W-6J5
Abstract This work presents the effect of methylation in the C2 position of the imidazolium in the cohesive interaction of trifluoromethanesulfonate ionic liquids (ILs). The effect of C2 methylation was evaluated and analyzed by comparison between the C2-methylated and C2-protonated analogues. It was found that the nature of the anion has a strong impact on the differentiation of the effect of the C2-methylation. While strong-coordinating and smaller anions promote the hydrogen bonding interaction with the acidic hydrogen at the C2 position of the imidazolium ring, for the case of a weak-coordinating and larger anions, the C2-methylation is expected to have a dominant contribution in the decrease of the liquid entropy, associated with the decrease of the anion-around-cation dynamics due to the presence of the bulkier methyl group (-CH3) in the position 2. The volatility, heat capacities, thermal stability, and phase behavior are presented for two ionic liquids methylated at the C2 position of imidazolium ring [(1)C(2)(2)C(1)(3)C(1)im][OTf] and [(1)C(4)(2)C(1)(3)C(1)im][OTf], and their. C2-protonated analogues [(1)C(2)(3)C(1)im][OTf] and [(1)C(4)(3)C(1)im][OTf]. It was found that the C2 methylation has a quite low impact on the volatility, due to an enthalpic - entropic compensation effect. However, the derived thermodynamic properties indicate a decrease of enthalpy and entropy of vaporization with the methylation at the C2 position, which is consistent with the existence of hydrogen bond interactions in the. C2-protonated [OTf]-based ILs. The methylation at position 2 of the imidazolium leads to an increase in the melting temperature. This effect is especially significant between [(1)C(2)(3)C(1)im][OTf] and [(1)C(2)(2)C(1)(3)C(1)im] [OTf] with an increase of 125 K in melting temperature. The experimental results suggest that this behavior is associated with an increase of enthalpy of fusion due to the substitution of the hydrogen at the C2 position by the bulkier methyl group (-CH3).