Characterization of tetrakis(thiadiazole)porphyrazine metal complexes by magnetic circular dichroism and magnetic circularly polarized luminescence

Autor: Giovanna Longhi, Sergio Abbate, Maria Pia Donzello, Claudio Ercolani, Elisa Viola, Lorenzo Paoloni, Giuseppe Mazzeo, Simone Ghidinelli

The magnetic circular dichroism (MCD) spectra of metal complexes of tetrakis(thiadiazole)porphyrazines ([TTDPzM] with M = 2HI , ZnII , MgII (H2 O), and CdII ) have been recorded in dimethyl formamide solution. Together with the UV-Vis spectra, the MC

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c7641b267990ca75ecd3f7d9a9c2ec84
http://hdl.handle.net/11573/1416578

A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion

Autor: Antonio Rizzo, Geert L. J. A. Rikken, Patrick Norman, Janusz Cukras, Sonia Coriani, Joanna Kauczor

Publikováno v: Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, 2017
Cukras, J, Kauczor, J, Norman, P, Rizzo, A, Rikken, G L J A & Coriani, S 2016, ' A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion ', Physical Chemistry Chemical Physics, vol. 18, pp. 13267-13279 . https://doi.org/10.1039/c6cp01465h
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2017

A computational protocol for magneto-chiral dichroism and magneto-chiral birefringence dispersion is presented within the framework of damped response theory, also known as complex polarization propagator theory, at the level of time-dependent Hartre

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::996a6a82f1162dc0e8bf7b82bd689583
http://pubs.rsc.org/en/Content/ArticleLanding/2016/CP/C6CP01465H#!divAbstract

Old and New Spectroscopies in 'Strong' Magnetic Fields: MCD, MCHD, NSCD

Autor: CORIANI, Sonia

The complex-polarisation propagator formalism has been used to investigate both “traditional” and “perspective” new spectroscopies related to the absorption of light by the sample in presence of either external or internal magnetic fields. In

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::3354c6554a62044a8bc1f05f34e9c2da
http://hdl.handle.net/11368/2838035

Relative Stability of the La and Lb Excited States in Adenine and Guanine: Direct Evidence from TD-DFT Calculations of MCD Spectra

Autor: Sonia Coriani, Roberto Improta, Patrick Norman, Joanna Kauczor, Tobias Fahleson, Fabrizio Santoro

Publikováno v: The journal of physical chemistry letters 5 (2014): 1806–1811. doi:10.1021/jz500633t
info:cnr-pdr/source/autori:Santoro, Fabrizio; Improta, Roberto; Fahleson, Tobias; Kauczor, Joanna; Norman, Patrick; Coriani, Sonia/titolo:Relative stability of the La and Lb excited states in adenine and guanine: Direct evidence from TD-DFT calculations of MCD spectra/doi:10.1021%2Fjz500633t/rivista:The journal of physical chemistry letters/anno:2014/pagina_da:1806/pagina_a:1811/intervallo_pagine:1806–1811/volume:5

The relative position of La and Lb ππ* electronic states in purine nucleobases is a much debated topic, since it can strongly affect our understanding of their photoexcited dynamics. To assess this point, we calculated the absorption and magnetic c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::273a554dbb29fe892f4023f4d381e580
http://hdl.handle.net/11368/2784137

Carbon X-ray absorption spectra of fluoroethenes and acetone : A study at the coupled cluster, density functional, and static-exchange levels of theory

Autor: Thomas Fransson, Ove Christiansen, Patrick Norman, Sonia Coriani

Publikováno v: Fransson, T, Coriani, S, Christiansen, O & Norman, P 2013, ' Carbon X-ray absorption spectra of fluoroethenes and acetone : A study at the coupled cluster, density functional, and static-exchange levels of theory ', Journal of Chemical Physics, vol. 138, no. 12, 124311 . https://doi.org/10.1063/1.4795835

Near carbon K-edge X-ray absorption fine structure spectra of a series of fluorine-substituted ethenes and acetone have been studied using coupled cluster and density functional theory (DFT) polarization propagator methods, as well as the static-exch

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::46b587c404240a41c245285c175f013c
http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-198738