Nonequilibrium effects of cavity leakage and vibrational dissipation in thermally activated polariton chemistry

We have investigated the solvent-dependence of structural changes along with intersystem crossing of a thermally activated delayed fluorescence (TADF) molecule, 3,4,5-tri(9H-carbazole-9-yl)benzonitrile (o-3CzBN), in toluene, tetrahydrofuran, and acetonitrile solutions using time-resolved infrared (TR-IR) spectroscopy and DFT calculations. We found that the geometries of the S1 and T1 states are very similar in all solvents though the photophysical properties mostly depend on the solvent. In addition, the time-dependent DFT calculations based on these geometries suggested that the thermally activated delayed fluorescence process of o-3CzBN is governed more by the higher-lying excited states than by the structural changes in the excited states.<br>

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THE ANALYSIS OF ELECTROPHYSICAL PROPERTIES OF VEGETABLE OILS BY THERMALLY ACTIVATED CURRENT SPECTROSCOPY

Industrial laboratory Diagnostics of materials ◽

10.26896/1028-6861-2018-84-2-38-42 ◽

2018 ◽

Vol 84 (2) ◽

pp. 38-42

Author(s):

Zh. V. Kadolich

Keyword(s):

Vegetable Oils ◽

Electrophysical Properties ◽

Thermally Activated

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Thermally activated technologies: Technology Roadmap

10.2172/1216242 ◽

2003 ◽

Author(s):

None None

Keyword(s):

Thermally Activated ◽

Technology Roadmap

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Mass spectrometric study of allyl radical, allyl bromide and 1,5-hexadiene interactions with oxides; Cobalt suboxide Co3O4

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19792009 ◽

1979 ◽

Vol 44 (7) ◽

pp. 2009-2014 ◽

Cited By ~ 2

Author(s):

Jana Nováková ◽

Zdeněk Dolejšek

Keyword(s):

Room Temperature ◽

Allyl Bromide ◽

Catalytic Properties ◽

Mass Spectrometric Study ◽

Spectrometric Study ◽

Flow Conditions ◽

Allyl Radical ◽

Knudsen Flow ◽

Thermally Activated ◽

Radical Interaction

Products of (a) allyl radical interaction with unheated Co3O4, (b) thermally activated 1,5-hexadiene or thermally activated allyl bromide with unheated Co3O4, (c) moderately heated Co3O4 with unheated 1,5-hexadiene or allyl bromide were studied under Knudsen flow conditions. Cobalt suboxide Co3O4, a typical catalyst of deep oxidations yielded acrolein in reaction with allyl radicals as early as at the room temperature of the catalyst. A similar acrolein formation was also observed in the allyl radical interaction with other oxides exhibiting different catalytic properties. It appears that acrolein is in general the primary product of the allyl radical interaction with the oxides. The results are discussed and compared with previous data obtained with MoO3.

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