The use of sublimable chlorotricarbonyl bis(phenylimino)acenaphthene rhenium(I) complexes as photosensitizers in bulk-heterojunction photovoltaic devices

Mak, Chris S. K.; Wong, Hei Ling; Leung, Qing Yun; Tam, Wing Yan; Chan, Wai Kin; Djurišić, Aleksandra B.

doi:10.1016/j.jorganchem.2009.04.037

Cited by 39 publications

(15 citation statements)

References 33 publications

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“…Hence, it was found necessary to synthesize the ligand via its ZnCl 2 adduct followed by removal of the metal. [36] All analytical data was identical to reported literature values.…”

Section: Synthesis Of Ph-biansupporting

confidence: 70%

A New Class of Lanthanide Complexes with Three Ligand Centered Radicals: NMR Evaluation of Ligand Field Energy Splitting and Magnetic Coupling

Hiller

Sittel

Wadepohl

et al. 2019

Chemistry A European J

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Combination of three radical anionic Ph‐BIAN ligands (Ph‐BIAN=bis‐(phenylimino)‐acenaphthenequinone) with lanthanoid ions leads to a series of homoleptic, six‐coordinate complexes of the type Ln(Ph‐BIAN)3. Magnetic coupling data were measured by paramagnetic solution NMR spectroscopy. Combining 1H NMR with 2H NMR of partially deuterated compounds allowed a detailed study of the magnetic susceptibility anisotropies over a large temperature range. The observed chemical shifts were separated into ligand‐ and metal‐centered contributions by comparison with the Y analogue (diamagnetic at the metal). The metal‐centered contributions of the complexes with the paramagnetic ions could then be separated into pseudocontact and Fermi contact shifts. The latter is large within the Ph‐BIAN scaffold, which shows that magnetic coupling is significant between the lanthanide ion and the radical ligand. Pseudocontact shifts were further correlated to structural data obtained from X‐ray diffraction experiments. Ligand‐field parameters were determined by fitting the temperature dependence of the observed magnetic susceptibility anisotropies. The electronic structure determined by this approach shows, that the Er and Tm analogues are candidates for single molecule magnets (SMM). These results demonstrate the possibilities for the application of NMR spectroscopy in investigations of paramagnetic systems in general and single molecule magnets in particular.

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“…Hence, it was found necessary to synthesize the ligand via its ZnCl 2 adduct followed by removal of the metal. [36] All analytical data was identical to reported literature values.…”

Section: Synthesis Of Ph-biansupporting

confidence: 70%

A New Class of Lanthanide Complexes with Three Ligand Centered Radicals: NMR Evaluation of Ligand Field Energy Splitting and Magnetic Coupling

Hiller

Sittel

Wadepohl

et al. 2019

Chemistry A European J

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“…HR‐MS (EI, 70 eV) : Calculated: (C 24 H 16 N 2 + Na) 355.1211; Found: 355.1217. 1 H NMR and 13 C matches with that previously reported; however, they reported only 14 proton resonances instead of 16 proton resonances.…”

Section: Methodsmentioning

confidence: 99%

Synthesis, UV–Vis and CV properties of a structurally related series of bis(Arylimino)acenaphthenes (Ar‐BIANs)

Hasan

Zysman‐Colman

2013

J of Physical Organic Chem

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Herein, we report the synthesis and electrochemical and spectroscopic characterization for a series of six bis(arylimino) acenaphthene, compounds commonly used as ligands in catalysis, polymerization and materials. Low energy absorption bands are the result of an intraligand charge transfer between the aryl groups and the acenaphthene core, and their energies obey a Hammett relationship with respect to substitution on the aryl.

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“…Furthermore, long-term (photo-and thermal) stability, suitable electrochemical properties to enable (inter-or intramolecular) electron transfer and long excited-state lifetimes, in combination with low production costs and toxicity, are highly desired [18]. Since the 1970s, mostly transition metal complexes based on ruthenium, platinum, iridium, and rhenium, were employed as PSs in photocatalysis [3,[18][19][20][21][22][23][24][25][26][27].…”

Section: Introductionmentioning

confidence: 99%

Photo-Induced Charge Separation vs. Degradation of a BODIPY-Based Photosensitizer Assessed by TDDFT and RASPT2

2018

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A meso-mesityl-2,6-iodine substituted boron dipyrromethene (BODIPY) dye is investigated using a suite of computational methods addressing its functionality as photosensitizer, i.e., in the scope of light-driven hydrogen evolution in a two-component approach. Earlier reports on the performance of the present iodinated BODIPY dye proposed a significantly improved catalytic turn-over compared to its unsubstituted parent compound based on the population of long-lived charge-separated triplet states, accessible due to an enhanced spin-orbit coupling (SOC) introduced by the iodine atoms. The present quantum chemical study aims at elucidating the mechanisms of both the higher catalytic performance and the degradation pathways. Time-dependent density functional theory (TDDFT) and multi-state restricted active space perturbation theory through second-order (MS-RASPT2) simulations allowed identifying excited-state channels correlated to iodine dissociation. No evidence for an improved catalytic activity via enhanced SOCs among the low-lying states could be determined. However, the computational analysis reveals that the activation of the dye proceeds via pathways of the (prior chemically) singly-reduced species, featuring a pronounced stabilization of charge-separated species, while low barriers for carbon-iodine bond breaking determine the photostability of the BODIPY dye.

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The use of sublimable chlorotricarbonyl bis(phenylimino)acenaphthene rhenium(I) complexes as photosensitizers in bulk-heterojunction photovoltaic devices

Cited by 39 publications

References 33 publications

A New Class of Lanthanide Complexes with Three Ligand Centered Radicals: NMR Evaluation of Ligand Field Energy Splitting and Magnetic Coupling

A New Class of Lanthanide Complexes with Three Ligand Centered Radicals: NMR Evaluation of Ligand Field Energy Splitting and Magnetic Coupling

Synthesis, UV–Vis and CV properties of a structurally related series of bis(Arylimino)acenaphthenes (Ar‐BIANs)

Photo-Induced Charge Separation vs. Degradation of a BODIPY-Based Photosensitizer Assessed by TDDFT and RASPT2

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