Miquel Sola

Prof. Dr. Miquel Sola

Institut de Química Computacional i Catàlisi (IQCC) and Departament de Química, Universitat de Girona, c/ Maria Aurèlia Capmany 6, 17003 Girona, Catalonia, Spain
orcid
Full professor at the University of Girona

Research Focus & Metrics

Academic Career Length

38Years (1989-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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14 December 2004 in The Journal of Chemical Physics
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Journal Article
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EMEduard Matito
Eduard Matito
MDMiquel Duran
Miquel Duran
Miquel SolaMiquel Sola
Miquel Sola
In this work, the aromatic fluctuation index (FLU) that describes the fluctuation of electronic charge between adjacent atoms in a given ring is introduced as a new aromaticity measure. This new electronic criterion of aromaticity is based on the fact that aromaticity is related to the cyclic delocalized circulation of π electrons. It is defined not only considering the amount of electron sharing between contiguous atoms, which should be substantial in aromatic molecules, but also taking into account the similarity of electron sharing between adjacent atoms. For a series of rings in 15 planar polycyclic aromatic hydrocarbons, we have found that, in general, FLU is strongly correlated with other widely used indicators of local aromaticity, such as the harmonic-oscillator model of aromaticity, the nucleus independent chemical shift, and the para-delocalization index (PDI). In contrast to PDI, the FLU index can be applied to study the aromaticity of rings with any number of members and it can be used to analyze both the local and global aromatic character of rings and molecules.

1 January 2013 in Frontiers in Chemistry
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Journal Article
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Miquel SolaMiquel Sola
Miquel Sola
In 1972 Erich Clar formulated his aromatic pi-sextet rule that allows discussing qualitatively the aromatic character of benzenoid species. Now, forty years later, Clar’s aromatic pi-sextet rule is still a source of inspiration for many chemists. This simple rule has been validated both experimentally and theoretically. In this review, we select some particular examples to highlight the achievement of Clar’s aromatic pi-sextet rule in many situations and we discuss two recent successful cases of its application.

10 April 2015 in Chemical Society Reviews
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Journal Article
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FFFerran Feixas
Ferran Feixas
EMEduard Matito
Eduard Matito
Jordi PoaterJordi Poater
Jordi Poater
Miquel SolaMiquel Sola
Miquel Sola
Aromaticity cannot be measured directly by any physical or chemical experiment because it is not a well-defined magnitude. Its quantification is done indirectly from the measure of different properties that are usually found in aromatic compounds such as bond length equalisation, energetic stabilisation, and particular magnetic behaviour associated with induced ring currents. These properties have been used to set up the myriad of structural-, energetic-, and magnetic-based indices of aromaticity known to date. The cyclic delocalisation of mobile electrons in two or three dimensions is probably one of the key aspects that characterise aromatic compounds. However, it has not been until the last decade that electron delocalisation measures have been widely employed to quantify aromaticity. Some of these new indicators of aromaticity such as the PDI, FLU, ING, and INB were defined in our group. In this paper, we review the different existing descriptors of aromaticity that are based on electron delocalisation properties, we compare their performance with indices based on other properties, and we summarise a number of applications of electronic-based indices for the analysis of aromaticity in interesting chemical problems.

16 January 2003 in Chemistry – A European Journal
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Jordi PoaterJordi Poater
Jordi Poater
XFXavier Fradera
Xavier Fradera
MDMiquel Duran
Miquel Duran
Miquel SolaMiquel Sola
Miquel Sola

25 January 2000 in Chemical Reviews
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Journal Article
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MTMaricel Torrent
Maricel Torrent
Miquel SolaMiquel Sola
Miquel Sola
GFGernot Frenking
Gernot Frenking

10 March 2006 in Chemistry – A European Journal
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Journal Article
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Jordi PoaterJordi Poater
Jordi Poater
Miquel SolaMiquel Sola
Miquel Sola
FBF. Matthias Bickelhaupt
F. Matthias Bickelhaupt