Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Gerard Alcover"'
Publikováno v:
Dyes and Pigments. 162:168-176
Fluorescent polarity probes are usually based on intramolecular charge transfer excited states of selected dyes, the behavior of which in different solvents is traditionally rationalized by the well-known Lippert-Mataga treatment of the “general so
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d72ff4ddf2700785bf25461ffe31110e
https://doi.org/10.1016/j.dyepig.2018.10.015
https://doi.org/10.1016/j.dyepig.2018.10.015
Publikováno v:
Inorganic Chemistry. 55:5274-5280
Electronic structure calculations have been performed on four different Mn corrole and corrolazine complexes to clarify the role of the imide axial ligand on the relative stability of the different spin states and the stabilization of the high-valent
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a852fb37eca2bebde281457f0c9eea41
https://doi.org/10.1021/acs.inorgchem.6b00194
https://doi.org/10.1021/acs.inorgchem.6b00194
Publikováno v:
The journal of physical chemistry. A. 122(4)
Quantum chemical calculations have been performed to study the photocycle of [Ru(bpy)3]2+, a complex that is extensively used as electron donor in photocatalytic reactions. After the initial spin-allowed excitation from the non-magnetic ground state
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::26bb44d99ca5f8d24ab508391db1aca9
https://pubmed.ncbi.nlm.nih.gov/29272128
https://pubmed.ncbi.nlm.nih.gov/29272128
In this work, we present a computational study developed at the SA-CASSCF/CASPT2 level (State Averaged Complete Active Space Self Consistent Field/CAS second order Perturbation Theory) to elucidate the mechanism, up to now unknown, of the cis–trans
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______2659::9e1fe9448df07cfa9e21907710eed824
https://zenodo.org/record/7664460
https://zenodo.org/record/7664460
Publikováno v:
Materials, Vol 10, Iss 12, p 1342 (2017)
Materials
Materials; Volume 10; Issue 12; Pages: 1342
Materials
Materials; Volume 10; Issue 12; Pages: 1342
Azo compounds are organic photochromic systems that have the possibility of switching between cis and trans isomers under irradiation. The different photochemical properties of these isomers make azo compounds into good light-triggered switches, and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0e2b21dea1466ec6adc1c53131aebfe8
https://www.mdpi.com/1996-1944/10/12/1342
https://www.mdpi.com/1996-1944/10/12/1342
Publikováno v:
Inorganic Chemistry
Repositori Institucional de la Universitat Rovira i Virgili
Universitat Rovira i virgili (URV)
Repositori Institucional de la Universitat Rovira i Virgili
Universitat Rovira i virgili (URV)
Electronic structure calculations have been performed on four different Mn corrole and corrolazine complexes to clarify the role of the imide axial ligand on the relative stability of the different spin states and the stabilization of the high valent
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=RECOLECTA___::3c7d8d3ff4d8f090157e74cdd4c91ad6
http://hdl.handle.net/20.500.11797/PC1524
http://hdl.handle.net/20.500.11797/PC1524
Publikováno v:
Physical Chemistry Chemical Physics
Repositori Institucional de la Universitat Rovira i Virgili
Universitat Rovira i virgili (URV)
Repositori Institucional de la Universitat Rovira i Virgili
Universitat Rovira i virgili (URV)
Reversible, room-temperature light-induced spin-crossover has been reported in a Ni–porphyrin functionalized with a phenylazopyridine (PAPy) ligand (Venkataramani et al., Science, 2011, 331, 445). Upon light irradiation (500 nm), the azopyridine mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b1fbc9f025c7fef57ecf05ed88251a56
http://hdl.handle.net/20.500.11797/PC1175
http://hdl.handle.net/20.500.11797/PC1175