3.2023  I was awarded an advanced computing project by the Portuguese Science Foundation (100 000 CPU core. hours) to development multidimensional tunneling calculations and explore new reactivity paradigms to drive chemical transformations (TUNCHEM), using the National Network for Advanced Computing [LCA-UC Navigator+ supercomputer].  I will coordinate the TUNCHEM project in the next 6 months and will keep up with all developments in a dedicated webpage.

11.2022  Check out our new discovery of an unprecedented case of simultaneous tunneling control reactions, which completely breaks the reactivity predictions inferred by classical transition state theory, just published in the J. Am. Chem. Soc. (link). 

See also the Chemistry World published story covering our discovery (link).

9.2022  We have just published in Chem. Eur. J. (link-OA) our discovery showing differential manifestion of quantum tunneling and IR vibrational excitation chemistry on two isomeric benzazirines generated in cryogenic matrices. These exceptional results allow us probing into the fundamental nature of such unconventional types of chemical reactivity. Nice to see our work featured as a VIP paper! These accomplishment are a joined effort of the aCTIVE and QUANTUN projects.  

7.2022  Check out our review paper on IR-induced and tunneling-driven reactions observed in cryogenic matrices, with entangled examples of these two unconventional types of reactivity. Special focus was given to our most recent and pioneer achievements in the field. This work was published in the Chem. Soc. Rev.. (link or repository).

9.2021  Check out our new achievements demonstrating that selective vibrational excitation of a moiety, remotely attached in relation to the molecular reaction site, might offer a generalized strategy for inducing bond-breaking/bond-forming reactions with exquisite precision. This work was just published in Chem. Comm. (link or repository). 

This accomplishment paves the way for harnessing IR vibrational excitation as a tool to guide a variety of molecular structure manipulations in an exceptional highly-selective manner (follow our aCTIVE project for more information).

7.2021  Check out our new achievements demonstrating how to switch ON an H-tunneling reaction upon conformational control by vibrational excitation published in the J. Am. Chem. Soc. (link or repository).  Proud to see our work selected in a JACS spotlight! These results are a joined effort of the aCTIVE and QUANTUN projects.  

9.2020  We have been among the new leading research groups on the field of quantum tunneling in chemical reactions. To know more about recent investigations on the topic, check out our new chapter book: “Direct Observation of Tunneling Reactions by Matrix Isolation Spectroscopy” In Tunnelling in Molecules: Nuclear Quantum Effects from Bio to Physical Chemistry; Kästner, J. and Kozuch, S. Eds.; Royal Society of Chemistry, Cambridge, 2021, pp 1-60 (link or repository).

9.2020  Check out our breakthrough achievement of a bond-breaking/bond-forming reaction triggered by IR vibrational excitation published in the J. Phys. Chem. Lett (link or repository) . 

Since the invention of lasers in the 1960s, chemists have dreamt of using infrared (IR) laser radiation to manipulate matter in an unprecedented selective way. In the last twenty years, this methodology has been employed to manipulate molecular conformations of different types of organic compounds isolated in cryogenic matrices. In this new work, we demonstrated that besides conformational isomerizations bond-breaking/bond-forming reactions can also be induced by IR vibrational excitation under matrix isolation conditions (follow our aCTIVE project for more information).

6.2020  Check out our new pioneer work (in collaboration with Robert McMahon's group) on heavy-atom tunneling published in Angew. Chem. (link or repository). Nice to see it featured as a VIP paper!

Not long ago, the occurrence of quantum mechanical tunneling (QMT) chemistry involving atoms heavier than hydrogen was considered unreasonable. Here, we report an unprecedented discovery that establishes a new limit for the heavier atom involved in a ground-state QMT reaction. Moreover, we provide evidence of an intriguing and distinctive mechanism involving heavy-atom QMT through crossing triplet to singlet potential energy surfaces.

1.2020  We have just finished the installation of a new 2D-IR spectrometer with transient absorption module from femtoseconds to nanoseconds. This equipment integrates a new laboratory of the Coimbra Laser Lab where our and other researcher groups will carry out advanced investigations.

11.2019  We have just published in Phys. Chem. Chem. Phys. (2019 PCCP HOT Articles link-OA) our new work showing chemistry triggered by vibrational excitation of second stretching overtones 

In new equipment fully operational (aCTIVE project), we successfully measured for the first time second stretching overtones of molecules isolated in cryogenic conditions. Then, we demonstrated using a diode near-IR laser that the vibrational excitation of these modes triggers conformational isomerizations. These results open the door to extend the control over conformations separated by high barriers and to induce other transformations not energetically accessible by excitation of fundamental or first stretching overtone modes. 

8.2019  Check out our discover (in collaboration with Peter Schreiner's group) of a new quantum tunneling reactivity paradigm published in the J. Am. Chem. Soc. (link or repository). 

Quantum tunneling of heavy atoms like carbon or nitrogen has been considered very unlikely for the longest time. We have recently led investigations reporting direct spectroscopy observation of a heavy-atom tunneling event (J. Amer. Chem. Soc. 2017, 139, 17649), which had put our group among the very few in the world that have observed this phenomenon. In our most recent work, we unveiled a new reactivity paradigm in this area, by demonstrating that a well-defined chemical starting material decays spontaneously at cryogenic temperatures into two different products that arise from competitive heavy-atom carbon vs. nitrogen tunneling. 

3.2019   Our group have just acquired and installed a new tunable diode laser with a master oscillator power amplified (1000-950 nm, up to 2 W). We have also developed a new prototype system based on an optical fiber to carried the near-IR light from the diode laser to our matrix cryogenic system. This will allow us to perform pioneer investigations on chemistry triggered by infrared vibrational excitation (follow our aCTIVE project for more information).

7.2018  I was awarded a project grant by the Portuguese Science Foundation (240 k €) to investigate Chemistry Triggered by Infrared Vibrational Excitation (aCTIVE). I will coordinate the aCTIVE project in the next 3-4 years, starting today! I will keep up with news about the latest achievements and discoveries in the webpage aCTIVE .