Photoluminescence of cubic mixed-metal tetrameric clusters

Henary, Maher; Zink, Jeffrey I.

doi:10.1021/ja00201a020

Cited by 61 publications

(40 citation statements)

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“…It offers a powerful method for calculating spectra in terms of technique and conceptual points of view. 48,[60][61][62][63][64][65][66][67] The fundamental equation for the calculation of an absorption spectrum using time-dependent theory is…”

Section: Time-dependent Theorymentioning

confidence: 99%

Excited state distortions in a charge transfer state of a donor–acceptor [2]rotaxane

Stephenson

Wang

Coskun

et al. 2010

Phys. Chem. Chem. Phys.

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The charge transfer excited state of a mechanically interlocked [2]rotaxane (R(4+)) with a donor 1,5-dioxynaphthalene (DNP) unit in the rod and the acceptor cyclobis(paraquat-p-phenylene) (CBPQT(4+)) ring component, along with the analogous non-interlocked [2]pseudorotaxane (P(4+)), is studied by resonance Raman spectroscopy and electronic absorption spectroscopy. Resonance Raman excitation profiles are obtained, calculated quantitatively using time-dependent theoretical methods, and interpreted with the assistance of DFT calculations. The active vibrational modes are consistent with an electron transfer from the HOMO centered on the DNP unit to the LUMO on the CBPQT(4+) ring. Displacement vectors of highly distorted modes agree with the bonding changes predicted from the MO nodal pattern. Subtle changes in the frequency of some modes in the free components compared with those in R(4+) are observed. The largest distortions are found for modes involving ring breathing in the DNP unit of the rod and the paraquat units of the CBPQT(4+) ring. The individual mode contributions to the vibrational reorganization energy, as well as the total vibrational reorganization energy, are calculated. Very similar values of λ(v) for R(4+) and P(4+) are calculated (∼2910 cm(-1)), indicating that the mechanical stoppers in the interlocked system do not significantly affect the excited state properties of R(4+) compared with P(4+).

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Section: Time-dependent Theorymentioning

confidence: 99%

Excited state distortions in a charge transfer state of a donor–acceptor [2]rotaxane

Stephenson

Wang

Coskun

et al. 2010

Phys. Chem. Chem. Phys.

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“…Copper(I) clusters represent a major class of transition metal complexes that exhibits rich luminescence. − Since the first report on tetrahedral [Cu 4 I 4 (py) 4 ] cubanes ( 1 , Figure ) in the 1970s by Hardt and co-worker and the related pioneering emission studies by the groups of Holt, Vogler, and Zink, the structural and luminescence properties of copper(I) clusters have been extensively investigated. − ,− …”

Section: General Considerationsmentioning

confidence: 99%

Organic Light-Emitting Diodes Based on Luminescent Self-Assembled Materials of Copper(I)

2021

Energy Fuels

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Over the past decade, we have seen the rapid advancement in the technology of organic light-emitting diodes (OLEDs) toward practical applications. The high color contrast, wide viewing angles, good flexibility, and low power consumption of OLEDs have rendered them promising candidates for next-generation displays and solid-state lighting applications. Parallel to the optimization in device structures, of equal importance is the search for new classes of emitters. While conventional OLEDs mainly rely on triplet emitters based on precious metal complexes, such as those of platinum(II) and iridium(III), copper(I) self-assembled materials represent attractive alternatives with relatively low cost but comparable emission tunability. In this mini review, the recent progress in the development of copper(I) self-assembled materials, including copper(I) clusters and coordination polymers, as electroluminescent materials in OLEDs will be discussed.

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“…[36][37][38] The autocorrelation function keeps track of how the wavepacket F develops in time on the excited state potential surface; this surface is treated as being uncoupled from other excited states. [39][40][41][42][43] The total autocorrelation function in a system with K orthogonal coordinates is given as…”

Section: Calculation Of the Absorption Spectrummentioning

confidence: 99%

“…The Raman scattering cross section is given by [36][37][38][39][40][41][42][43][44][45][46][47][48] a fi ¼ i h…”

Section: Calculation Of the Resonance Raman Enhancement Profilementioning

confidence: 99%

Mixed valence of a delocalized system: a resonance Raman study of the tetracyanoquinodimethane radical anion

Hoekstra

Zink

Telo³

et al. 2009

J of Physical Organic Chem

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The optical absorption spectrum and resonance Raman enhancement of the lowest energy absorption band of K R 7,7,8,8-tetracyanoquinodimethane S (TCNQ) are reported and examined in the mixed valence (MV) framework. The absorption spectrum is assigned, in accordance with previous work, using Koopmans-based calculations and the neighboring orbital model is constructed from the adiabatic orbital energies. Calculated fits of the lowest energy absorption band and the corresponding resonance Raman enhancement profiles are made using the time-dependent theory of spectroscopy.

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Photoluminescence of cubic mixed-metal tetrameric clusters

Cited by 61 publications

References 0 publications

Excited state distortions in a charge transfer state of a donor–acceptor [2]rotaxane

Excited state distortions in a charge transfer state of a donor–acceptor [2]rotaxane

Organic Light-Emitting Diodes Based on Luminescent Self-Assembled Materials of Copper(I)

Mixed valence of a delocalized system: a resonance Raman study of the tetracyanoquinodimethane radical anion

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