Dataset Information

Thermally Activated Delayed Fluorescence from d¹⁰ -Metal Carbene Complexes through Intermolecular Charge Transfer and Multicolor Emission with a Monomer-Dimer Equilibrium.

ABSTRACT: A series of two-coordinate Au^I and Cu^I complexes (3?a, 3?b and 5?a, 5?b) are reported as new organometallic thermally activated delayed fluorescence (TADF) emitters, which are based on the carbene-metal-carbazole model with a pyridine-fused 1,2,3-triazolylidene (PyTz) ligand. PyTz features low steric hindrance and a low-energy LUMO (LUMO=-1.47?eV) located over the ?* orbitals of the whole ligand, which facilitates intermolecular charge transfer between a donor (carbazole) and an accepter (PyTz). These compounds exhibit efficient TADF with microsecond lifetimes. Temperature-dependent photoluminescence kinetics of 3?a supports a rather small energy gap between S₁ and T₁ (?E S1-T1 =60?meV). Further experiments reveal that there are dual-emission properties from a monomer-dimer equilibrium in solution, exhibiting single-component multicolor emission from blue to orange, including white-light emission.

SUBMITTER: Cao L

PROVIDER: S-EPMC7839463 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature

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Publications

Thermally Activated Delayed Fluorescence from d10 -Metal Carbene Complexes through Intermolecular Charge Transfer and Multicolor Emission with a Monomer-Dimer Equilibrium.

Cao Lei L Huang Shiqing S Liu Wei W Zhao Hongyan H Xiong Xiao-Gen XG Zhang Jian-Ping JP Fu Li-Min LM Yan Xiaoyu X

Chemistry (Weinheim an der Bergstrasse, Germany) 20201118 71

A series of two-coordinate AuI and CuI complexes (3 a, 3 b and 5 a, 5 b) are reported as new organometallic thermally activated delayed fluorescence (TADF) emitters, which are based on the carbene-metal-carbazole model with a pyridine-fused 1,2,3-triazolylidene (PyTz) ligand. PyTz features low steric hindrance and a low-energy LUMO (LUMO=-1.47 eV) located over the π* orbitals of the whole ligand, which facilitates intermolecular charge transfer between a donor (carbazole) a ...[more]

PMID: 33006821

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Project description:Although bovine beta-lactoglobulin assumes a monomeric native structure at pH 3 in the absence of salt, the addition of salts stabilizes the dimer. Thermodynamics of the monomer-dimer equilibrium dependent on the salt concentration were studied by sedimentation equilibrium. The addition of NaCl, KCl, or guanidine hydrochloride below 1 M stabilized the dimer in a similar manner. On the other hand, NaClO(4) was more effective than other salts by about 20-fold, suggesting that anion binding is responsible for the salt-induced dimer formation, as observed for acid-unfolded proteins. The addition of guanidine hydrochloride at 5 M dissociated the dimer into monomers because of the denaturation of protein structure. In the presence of either NaCl or NaClO(4), the dimerization constant decreased with an increase in temperature, indicating that the enthalpy change (DeltaH(D)) of dimer formation is negative. The heat effect of the dimer formation was directly measured with an isothermal titration calorimeter by titrating the monomeric beta-lactoglobulin at pH 3.0 with NaClO(4). The net heat effects after subtraction of the heat of salt dilution, corresponding to DeltaH(D), were negative, and were consistent with those obtained by the sedimentation equilibrium. From the dependence of dimerization constant on temperature measured by sedimentation equilibrium, we estimated the DeltaH(D) value at 20 degrees C and the heat capacity change (DeltaC(p)) of dimer formation. In both NaCl and NaClO(4), the obtained DeltaC(p) value was negative, indicating the dominant role of burial of the hydrophobic surfaces upon dimer formation. The observed DeltaC(p) values were consistent with the calculated value from the X-ray dimeric structure using a method of accessible surface area. These results indicated that monomer-dimer equilibrium of beta-lactoglobulin at pH 3 is determined by a subtle balance of hydrophobic and electrostatic effects, which are modulated by the addition of salts or by changes in temperature.

Dataset Information

Thermally Activated Delayed Fluorescence from d¹⁰ -Metal Carbene Complexes through Intermolecular Charge Transfer and Multicolor Emission with a Monomer-Dimer Equilibrium.

Publications

Thermally Activated Delayed Fluorescence from d<sup>10</sup> -Metal Carbene Complexes through Intermolecular Charge Transfer and Multicolor Emission with a Monomer-Dimer Equilibrium.

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