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Recent publications

Sep 14 2020

Cover of Chemistry Eur. J. [POMAM / LCQ]

Regarding the article « Origin of ferromagnetism and magnetic anisotropy in a family of copper(II) triangles » recently published in Chemistry Eur. J., the Institute of Chemistry is pleased to inform you that the POMAM group's artwork has also been selected to feature on the cover of the last issue of the jounal - DOI : https://doi.org/10.1002/chem.202002286   [more]

Sep 1 2020

Org. Lett. [SOPhy]

Abstract : N-Acyliminium ions generated from enamidyl vinyl ketones provided cyclopentenoid-fused diazepines diastereoselectively using BF3·Et2O in one pot through a domino N-acyliminium ion trapping/Nazarov reaction, simultaneously generating three new stereogenic centers. The particular structural design of the cross-conjugated dienone dictates the torquoselectivity observed in this polarized...[more]

Jul 16 2020

Eur. Phys. J. Appl. Phys. [POMAM]

Abstract : Here I present the theory of a new hybrid paramagnetic-ferrimagnetic SiC-YiG quantum sensor. It is designed to allow sub-nanoscale single external spin sensitivity optically detected pulsed electron electron double resonance spectroscopy, using an X band pulsed EPR spectrometer and an optical fiber. The sensor contains one single V2 negatively charged silicon vacancy color center in...[more]

Jul 16 2020

Eur. Phys. J. Appl. Phys. [POMAM]

Abstract : First experiments like optically detected (OD) electron paramagnetic resonance (ODMR), photoluminescence detected RABI oscillations, and optical pumping (OP) assisted pulsed EPR measurements of T2 and T1 of V2 spins in bulk SiC, which were previously demonstrated on various home build EPR spectrometers with free space optics, are here all demonstrated for the first time using a...[more]

Jul 9 2020

Organometallics [LCSOM]

Abstract : The base-assisted cyclometalation of 2-phenylpyridine (2-phpyH) by Cp*Co(III) was holistically addressed both theoretically and experimentally. Combined DFT and DLPNO-CCSD(T) methods assisted by QTAIM-based noncovalent interactions plots (NCI plots), interacting quantum atoms (IQA), and local energy decomposition (LED) analyses have been used for a comparative study of the...[more]

Jul 6 2020

ChemPhysChem [LCSOM]

Abstract : To figure out the possible role of 1,1,1,3,3,3‐hexafluoropropan‐2‐ol (HFIP) as well as to provide reference thermochemical data in solution, the formation of Lewis acid‐base complexes between HFIP (Lewis acid) and a series of 8 different Lewis bases (3 sulfoxides, 3 Nsp2 pyridine derivatives, 1 aromatic amine, 1 cyclic aliphatic ether) was examined by Isothermal Titration Calorimetry...[more]

Jun 29 2020

Phys. Rev. Lett. [LCQ]

Abstract : Gould and Pittalis [Phys. Rev. Lett. 123, 016401 (2019)] recently revealed a density-driven (DD) correlation energy that is specific to many-electron ensembles and must be accounted for by approximations. We derive in this Letter a general and simpler expression in terms of the ensemble weights, the ensemble Kohn-Sham (KS) orbitals, and their linear response to variations in the...[more]