We have just published a new paper in Chemical Science in collaboration with The O’Hagan Lab In this work we explored the conformations and molecular packing of alkyl all-cis 2,3,4,5,6-pentafluorocyclohexyl motifs, which are new fluorinated materials developed by David O’Hagan. Check it at:https://pubs.rsc.org/en/content/articlelanding/2021/sc/d1sc02130c#!divAbstract
We have just published a cover in PCCP featuring Vinicius and Lucas experimental and theoretical research on 2-(trifluoromethyl)thiophenol: https://pubs.rsc.org/en/content/articlelanding/2021/cp/d0cp05887d/unauth#!divAbstract The NMR machine is represented as a robot: its mouth is a NMR signal, there are cables connecting it to the console and there is also a representation of the magnetic field around it, among other…
João Paulo has published a new paper in the Journal of Biomolecular Structure and Dynamics:https://www.tandfonline.com/doi/full/10.1080/07391102.2021.1911859This is his first paper, which he started as a undergrad student and finished now as a MS candidate in our group. The paper suggests a new candidate to treat malaria, a neglected disease that affect millions in poor coutries around…
Congratulations Bruno for your new paper in Physical Chemistry Chemical Physics about the influence of Non Classical Hydrogen bonds (NCHBs) in the fluorine pseudo-anomeric effect and also in the classical anomeric effect of oxa-heterocycles. This paper was done in collaboation with David O’Hagan and is already online. Please take a look at the interesting calculations he…
Congratulations to Vinicius and Lucas for their new paper in Physical Chemistry Chemical Physics. They found out interesting bifurcated CF…HS and CF…SH stabilizing interactions that influence geometry and spin-spin coupling contants in a model compound. Check it in PCCP: DOI: 10.1039/d0cp05887d
Congratulations to Marco Afonso for his publication in Physical Chemistry Chemical Physics and the exciting results he got from his research as an undergrad student. Check it in the PCCP asap: https://pubs.rsc.org/en/content/articlelanding/2020/cp/d0cp04688d#!divAbstract
Congratulations to Gabriel for the approaval of his undergrad FAPESP scholarship. Gabriel will work with organofluorine compounds conformational analysis both experimentally and theoretically. We wish all the best for his carrier as a young scientist.
We have just published a new paper in The Journal of Organic Chemistry, which was done in collaboration with the Coelho’s group and prof. Michael Bühl from the Univervisty of St Andrews. This paper shows a robust/simple synthesis of tetrahydroindolizines and rationalizes the observed diastereoselectivity of a heterogeneous hydrogenation reaction by applying state-of-art experimental and…
Bruno has just published a Chemistry A European Journal paper about the Fluorine induced pseudo-anomeric effect. This paper was done in collaboation with the David O’Hagans group and is a nice joint between experimental and theoretical chemistry to understand a new physical organic chemistry effect. Check it out in the following link https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.202003058?af=R
Congratulations João Paulo for the approval of your FAPESP MSc. scholarship. João Paulo is currently working on computational calculations of macromolecules, particularly involving docking and molecular dynamics calculations.