Facial tris cyclometalated rhodium(3+) and iridium(3+) complexes: their synthesis, structure, and optical spectroscopic properties

Colombo, Mirco G.; Brunold, Thomas C.; Riedener, Toni; Guedel, Hans U.; Förtsch, M.; Buergi, H. B.

doi:10.1021/ic00081a024

Cited by 387 publications

(257 citation statements)

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“…One could in principle measure the onset of optical absorption of singlet excitons for this purpose. However, due to strong spin-orbit coupling, the optical absorption starts at much lower energies than the actual singlet energy, leaving a long tail that extends deeply into the high-wavelength region [77][78][79][80][81][82][83]. Another possibility is to determine the strongest peaks in the absorption spectra, which would yield much higher singlet-state energies than the lowest one.…”

Section: A Ir(ppy)3mentioning

confidence: 99%

Role of electronic localization in the phosphorescence of iridium sensitizing dyes

Himmetoḡlu

Marchenko

Dabo³

et al. 2012

The Journal of Chemical Physics

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In this work we present a systematic study of three representative iridium dyes, namely, Ir(ppy)3, FIrpic and PQIr, which are commonly used as sensitizers in organic optoelectronic devices. We show that electronic correlations play a crucial role in determining the excited-state energies in these systems, due to localization of electrons on Ir d orbitals. Electronic localization is captured by employing hybrid functionals within time-dependent density-functional theory (TDDFT) and with Hubbard-model corrections within the ∆-SCF approach. The performance of both methods are studied comparatively and shown to be in good agreement with experiment. The Hubbard-corrected functionals provide further insight into the localization of electrons and on the charge-transfer character of excited-states. The gained insight allows us to comment on envisioned functionalization strategies to improve the performance of these systems. Complementary discussions on the ∆-SCF method are also presented in order to fill some of the gaps in the literature.

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Section: A Ir(ppy)3mentioning

confidence: 99%

Role of electronic localization in the phosphorescence of iridium sensitizing dyes

Himmetoḡlu

Marchenko

Dabo³

et al. 2012

The Journal of Chemical Physics

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“…3 ] is a triply cyclometallated homoleptic complex which was a side product from the preparation of iridium dimer complexes, 64,75 but subsequent work significantly improved the yield and synthetic preparation methods. 76 Only the facial isomer of Ir(ppy) 3 is of technological interest because the meridional form has a very poor PLQY ( Figure 1.4). 77 Generally this behaviour is true for all meridional iridium(III) complexes, 77,78 and while there are some exceptions, 79 only facial isomers will be discussed.…”

Section: Phosphorescence Of Iridium(iii) Complexesmentioning

confidence: 99%

“…76 However, the absorption onset of Ir(ppy) 3 occurs at 500 nm, whereas Rh(ppy) 3 only starts absorbing below ~430 nm. 76 Similar behaviour is also seen with other ligand arrangements when iridium(III) is substituted for rhodium. 80 In Ir(ppy) 3 these low energy features arise from 3 MLCT transitions (the 3 denotes at singlet-triplet transition).…”

Section: Fac-tris(2-phenylpyridyl)iridium(iii) [Ir(ppy)mentioning

confidence: 99%

“…The weak SOC of rhodium is also manifested in the long emission lifetime of Rh(ppy) 3 , which at 77 K is 46 s versus 5 s for Ir(ppy) 3 under similar conditions. 76 Since the emitting triplet state of Rh(ppy) 3 has very little singlet character mixed by SOC, radiative transitions from this state are strongly forbidden, hence the longer emission lifetime.…”

Section: Fac-tris(2-phenylpyridyl)iridium(iii) [Ir(ppy)mentioning

confidence: 99%

“…Ir(ppy) 3 was prepared according to literature procedures. 62,76,244 CBP was deuterated via a platinum catalysed hydrothermal exchange reaction, similar to those described in the literature.…”

Section: Organic Synthesismentioning

confidence: 99%

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Properties of materials for organic light emitting diodes

Smith¹

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Metal-Containing Amphiphiles: Orthometallated Iridium(III) Complexes with Substituted 6′-Phenyl-2,2′-bipyridines

Neve

Crispini

2000

Eur. J. Inorg. Chem.

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The reaction of 4′‐functionalized 6′‐phenyl‐2,2′‐bipyridine ligands (L‐n) with the dimer [(ppy)2IrCl]2 (ppy = 2‐phenylpyridine anion) and subsequent counterion exchange affords a new series of cationic orthometallated iridium(III) complexes, [(ppy)2Ir(L‐n)][PF6] (1–5), which have been characterized by spectroscopic methods. These complexes have a large shape anisotropy and significant amphiphilic character. The crystal structure of 4 has been determined by X‐ray diffraction.

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Facial tris cyclometalated rhodium(3+) and iridium(3+) complexes: their synthesis, structure, and optical spectroscopic properties

Cited by 387 publications

References 0 publications

Role of electronic localization in the phosphorescence of iridium sensitizing dyes

Role of electronic localization in the phosphorescence of iridium sensitizing dyes

Properties of materials for organic light emitting diodes

Metal-Containing Amphiphiles: Orthometallated Iridium(III) Complexes with Substituted 6′-Phenyl-2,2′-bipyridines

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