“Chemistry-on-the-complex”: functional Ru II polypyridyl-type sensitizers as divergent building blocks
T Mede, M Jäger, US Schubert - Chemical Society Reviews, 2018 - pubs.rsc.org
Ruthenium polypyridyl type complexes are potent photoactive compounds, and have found–
among others–a broad range of important applications in the fields of biomedical diagnosis …
among others–a broad range of important applications in the fields of biomedical diagnosis …
Using computational chemistry to design Ru photosensitizers with directional charge transfer
M Jaeger, L Freitag, L Gonzalez - Coordination Chemistry Reviews, 2015 - Elsevier
Recent developments in computational chemistry offer an attractive opportunity to design
new photosensitizers with suitable properties. A number of theoretical techniques can be …
new photosensitizers with suitable properties. A number of theoretical techniques can be …
Excited state decay of cyclometalated polypyridine ruthenium complexes: insight from theory and experiment
C Kreitner, K Heinze - Dalton Transactions, 2016 - pubs.rsc.org
Deactivation pathways of the triplet metal-to-ligand charge transfer (3MLCT) excited state of
cyclometalated polypyridine ruthenium complexes with [RuN5C]+ coordination are …
cyclometalated polypyridine ruthenium complexes with [RuN5C]+ coordination are …
Reversing the relative 3 MLCT–3 MC order in Fe (ii) complexes using cyclometallating ligands: a computational study aiming at luminescent Fe (ii) complexes
IM Dixon, F Alary, M Boggio-Pasqua, JL Heully - Dalton Transactions, 2015 - pubs.rsc.org
Following a computational approach, the use of strongly electron-donating cyclometallating
ligands has allowed us to increase the 3MC–3MLCT gap dramatically in Fe (II) bis …
ligands has allowed us to increase the 3MC–3MLCT gap dramatically in Fe (II) bis …
Thermal and photochemical reactivity of manganese tricarbonyl and tetracarbonyl complexes with a bulky diazabutadiene ligand
The manganese tricarbonyl complex fac-Mn (Br)(CO) 3 (iPr2Ph-DAB)(1)[iPr2Ph-DAB=(N,
N′-bis (2, 6-di-isopropylphenyl)-1, 4-diaza-1, 3-butadiene)] was synthesized from the …
N′-bis (2, 6-di-isopropylphenyl)-1, 4-diaza-1, 3-butadiene)] was synthesized from the …
The effect of substituted 1, 2, 4-triazole moiety on the emission, phosphorescent properties of the blue emitting heteroleptic iridium (III) complexes and the OLED …
R Srivastava, LR Joshi - Physical Chemistry Chemical Physics, 2014 - pubs.rsc.org
A series of neutral heteroleptic mononuclear iridium (III) complexes was investigated using
the density functional theory/time-dependent density functional theory approach to …
the density functional theory/time-dependent density functional theory approach to …
The (N4C2)2– Donor Set as Promising Motif for Bis(tridentate) Iron(II) Photoactive Compounds
IM Dixon, F Alary, M Boggio-Pasqua… - Inorganic …, 2013 - ACS Publications
The ground and excited states of iron (II) bis (dipyridylbenzene) were probed by means of
DFT and TDDFT. In comparison to the well-known Fe (tpy) 22+, this neutral complex should …
DFT and TDDFT. In comparison to the well-known Fe (tpy) 22+, this neutral complex should …
Probing the photophysical capability of mono and bis (cyclometallated) Fe (II) polypyridine complexes using inexpensive ground state DFT
IM Dixon, S Khan, F Alary, M Boggio-Pasqua… - Dalton …, 2014 - pubs.rsc.org
The abundance and low toxicity of iron with respect to ruthenium would certainly make it
valuable for photophysical applications if one could circumvent its tendency to make high …
valuable for photophysical applications if one could circumvent its tendency to make high …
Tuning the ground state and excited state properties of monocationic iridium (III) complexes by varying the site of benzannulation on diimine ligand
Extending π-conjugation of the diimine ligand (N^ N ligand) via benzannulation is a
common way to tune the absorption and emission energies of cationic iridium (III) …
common way to tune the absorption and emission energies of cationic iridium (III) …
Photosolvolysis of cis-[Ru(α-diimine)2(4-aminopyridine)2]2+ Complexes: Photophysical, Spectroscopic, and Density Functional Theory Analysis
The photochemical and photophysical properties of the cis-[RuII (α-diimine) 2 (4-APy) 2] 2+
complexes, where α-diimine= 1, 10-phenanthroline (phen) and 4-APy= 4-aminopyridine I, 4 …
complexes, where α-diimine= 1, 10-phenanthroline (phen) and 4-APy= 4-aminopyridine I, 4 …