A simple generalization of the energy gap law for nonradiative processes

Jang, Seogjoo J.

doi:10.1063/5.0068868

Title: A simple generalization of the energy gap law for nonradiative processes

Authors:

^[1]

Department of Chemistry and Biochemistry, Queens College, City University of New York, 65-30 Kissena Boulevard, Queens, New York 11367, USA and PhD Programs in Chemistry and Physics, and Initiative for the Theoretical Sciences, Graduate Center, City University of New York, 365 Fifth Avenue, New York, New York 10016, USA

Publication Date:: 2021-10-28

Sponsoring Org.:: USDOE

OSTI Identifier:: 1828083

Grant/Contract Number:: SC0021413

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Chemical Physics

Additional Journal Information:: Journal Name: Journal of Chemical Physics Journal Volume: 155 Journal Issue: 16; Journal ID: ISSN 0021-9606

Publisher:: American Institute of Physics

Country of Publication:: United States

Language:: English

Citation Formats


                    Jang, Seogjoo J. A simple generalization of the energy gap law for nonradiative processes.  United States: N. p., 2021. 
Web.  doi:10.1063/5.0068868.

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                    Jang, Seogjoo J. A simple generalization of the energy gap law for nonradiative processes.  United States.  https://doi.org/10.1063/5.0068868

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                    Jang, Seogjoo J. Thu .  
"A simple generalization of the energy gap law for nonradiative processes".  United States.  https://doi.org/10.1063/5.0068868.

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@article{osti_1828083,

  title        = {A simple generalization of the energy gap law for nonradiative processes},

  author       = {Jang, Seogjoo J.},

  abstractNote = {},

  doi          = {10.1063/5.0068868},

  journal      = {Journal of Chemical Physics},

  number       = 16,

  volume       = 155,

  place        = {United States},

  year         = {2021},

  month        = {10}

}

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A simple generalization of the energy gap law for nonradiative processes

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As predicted by the energy gap law, which can be used to relate excited state, nonradioactive decay rate constants (k/sub nr/) and emission energies (E/sub em/), it is shown that plots of 1nk/sub nr/ vs E/sub em/ are linear for: (1) The metal to ligand charge transfer (MLCT) excited states in the series Re(bpy)(CO)/sub 3/L/sup +/ (bpy is 2,2'-bipyridine; L = PMe/sub 3/, CH/sub 3/CN,...). (2) The d-d excited states in the series Rh(NH/sub 3/)/sub 5/L/sup 3 +/ (L = CH/sub 3/CN, py,...). (3) Solvent effects for ..pi..-..pi..* fluorescence from 6-hydroxy-9-phenyl-fluoron and fluorescein. (4) The dsigma*-sigmap excited states in themore »« less
Application of the energy gap law to nonradiative, excited-state decay

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As predicted by the energy gap law, which can be used to relate exicted-state, nonradiative decay rate constants (k/sub nr/) and emission energies (E/sub em/), it is shown that plots of ln k/sub nr/ vs E/sub em/ are linear for (1) the metal-to-ligand charge-transfer (MLCT) excited states in the series Re(bpy)(CO)/sub 3/L/sup +/ (bpy is 2,2'-bipyridine; L = PMe/sub 3/, CH/sub 3/CN, ...); (2) the d-d excited states in the series Rh(NH/sub 3/)/sub 5/L/sup 3 +/ (L = CH/sub 3/CN, py, ...); (3) solvent effects for ..pi..-..pi..* fluorescence from 6-hydroxy-9-phenylfluoron and fluorescein; (4) the d sigma*-sigma p excited states ofmore »« less
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Title: A simple generalization of the energy gap law for nonradiative processes

Citation Formats

Radiationless transitions in isolated molecules journal, June 1973

On the Temperature Dependence of Molecular Line Shapes Due to Linearly Coupled Phonon Bands † journal, August 2002

Electron Transfer Between Biological Molecules by Thermally Activated Tunneling journal, September 1974

A nonadiabatic description of electron transfer reactions involving large free energy changes journal, August 1974

Correlation Function Approach to Radiationless Transitions journal, October 1970

Three States Involving Vibronic Resonance is a Key to Enhancing Reverse Intersystem Crossing Dynamics of an Organoboron-Based Ultrapure Blue Emitter journal, June 2021

Application of the energy gap law to excited-state decay of osmium(II)-polypyridine complexes: calculation of relative nonradiative decay rates from emission spectral profiles journal, July 1986

Lifetimes in Excited States journal, October 1971

High Yields of Singlet Excitons in Organic Electroluminescence through Two Paths of Cold and Hot Excitons journal, March 2014

Overcoming the energy gap law in near-infrared OLEDs by exciton–vibration decoupling journal, June 2020

Quantum effects in electron-transfer reactions journal, February 1981

Radiationless transitions in molecules journal, February 1978

Radiationless transitions in a new light journal, October 1983

Application of the energy gap law to the decay of charge transfer excited states, solvent effects journal, September 1982

Insights into Photosynthetic Energy Transfer Gained from Free-Energy Structure: Coherent Transport, Incoherent Hopping, and Vibrational Assistance Revisited journal, March 2021

Theory of Radiationless Relaxation of Rare‐Earth Ions in Crystals journal, April 1972

Establishing design principles for emissive organic SWIR chromophores from energy gap laws journal, September 2021

Electron transfer in the nonadiabatic regime: Crossover from quantum-mechanical to classical behaviour journal, June 1999

Photoinduced Cooling of Polyatomic Molecules in an Electronically Excited State in the Presence of Dushinskii Rotations † journal, September 2004

Multiphonon Processes in the Nonradiative Decay of Large Molecules journal, June 1970

Application of the energy gap law to nonradiative, excited-state decay journal, March 1983

Energy gap dependences of charge recombination processes of ion pairs produced by excitation of charge-transfer complexes: solvent polarity effects journal, December 1993

Excited state radiationless decay process with Duschinsky rotation effect: Formalism and implementation journal, March 2007

Energy gap law for vibrational relaxation of a molecule in a dense medium journal, July 1975

Closed-Form Expressions of Quantum Electron Transfer Rate Based on the Stationary-Phase Approximation † journal, September 2006

Non-Condon equilibrium Fermi’s golden rule electronic transition rate constants via the linearized semiclassical method journal, June 2016

Hydrogen bond effects on radiationless electronic transitions in xanthene dyes journal, August 1975

Breaking the Kasha Rule for More Efficient Photochemistry journal, October 2017

Spin–Vibronic Model for Quantitative Prediction of Reverse Intersystem Crossing Rate in Thermally Activated Delayed Fluorescence Systems journal, November 2019

The energy gap law for radiationless transitions in large molecules journal, February 1970

Near‐Infrared (NIR) Organic Light‐Emitting Diodes (OLEDs): Challenges and Opportunities journal, January 2019

The application of the energy gap law to the S1 energies and dynamics of carotenoids journal, May 1995

Theory of Excited State Decays and Optical Spectra: Application to Polyatomic Molecules journal, August 2010

The Energy Gap Law for Triplet States in Pt-Containing Conjugated Polymers and Monomers journal, September 2001

Near-infrared fluorophores for biomedical imaging journal, January 2017

Internal Rotation and the Breakdown of the Adiabatic Approximation: Many‐Phonon Radiationless Transitions journal, March 1970

Free Energy Dependence of Photoinduced Electron Transfer in Octathiophene-Diimide Dyads journal, December 2019

A transferable model for singlet-fission kinetics journal, May 2014

Radiationless transitions in isolated molecules
journal, June 1973

On the Temperature Dependence of Molecular Line Shapes Due to Linearly Coupled Phonon Bands ^†
journal, August 2002

Electron Transfer Between Biological Molecules by Thermally Activated Tunneling
journal, September 1974

A nonadiabatic description of electron transfer reactions involving large free energy changes
journal, August 1974

Correlation Function Approach to Radiationless Transitions
journal, October 1970

Three States Involving Vibronic Resonance is a Key to Enhancing Reverse Intersystem Crossing Dynamics of an Organoboron-Based Ultrapure Blue Emitter
journal, June 2021

Application of the energy gap law to excited-state decay of osmium(II)-polypyridine complexes: calculation of relative nonradiative decay rates from emission spectral profiles
journal, July 1986

Lifetimes in Excited States
journal, October 1971

High Yields of Singlet Excitons in Organic Electroluminescence through Two Paths of Cold and Hot Excitons
journal, March 2014

Overcoming the energy gap law in near-infrared OLEDs by exciton–vibration decoupling
journal, June 2020

Quantum effects in electron-transfer reactions
journal, February 1981

Radiationless transitions in molecules
journal, February 1978

Radiationless transitions in a new light
journal, October 1983

Application of the energy gap law to the decay of charge transfer excited states, solvent effects
journal, September 1982

Insights into Photosynthetic Energy Transfer Gained from Free-Energy Structure: Coherent Transport, Incoherent Hopping, and Vibrational Assistance Revisited
journal, March 2021

Theory of Radiationless Relaxation of Rare‐Earth Ions in Crystals
journal, April 1972

Establishing design principles for emissive organic SWIR chromophores from energy gap laws
journal, September 2021

Electron transfer in the nonadiabatic regime: Crossover from quantum-mechanical to classical behaviour
journal, June 1999

Photoinduced Cooling of Polyatomic Molecules in an Electronically Excited State in the Presence of Dushinskii Rotations ^†
journal, September 2004

Multiphonon Processes in the Nonradiative Decay of Large Molecules
journal, June 1970

Application of the energy gap law to nonradiative, excited-state decay
journal, March 1983

Energy gap dependences of charge recombination processes of ion pairs produced by excitation of charge-transfer complexes: solvent polarity effects
journal, December 1993

Excited state radiationless decay process with Duschinsky rotation effect: Formalism and implementation
journal, March 2007

Energy gap law for vibrational relaxation of a molecule in a dense medium
journal, July 1975

Closed-Form Expressions of Quantum Electron Transfer Rate Based on the Stationary-Phase Approximation ^†
journal, September 2006

Non-Condon equilibrium Fermi’s golden rule electronic transition rate constants via the linearized semiclassical method
journal, June 2016

Hydrogen bond effects on radiationless electronic transitions in xanthene dyes
journal, August 1975

Breaking the Kasha Rule for More Efficient Photochemistry
journal, October 2017

Spin–Vibronic Model for Quantitative Prediction of Reverse Intersystem Crossing Rate in Thermally Activated Delayed Fluorescence Systems
journal, November 2019

The energy gap law for radiationless transitions in large molecules
journal, February 1970

Near‐Infrared (NIR) Organic Light‐Emitting Diodes (OLEDs): Challenges and Opportunities
journal, January 2019

The application of the energy gap law to the S1 energies and dynamics of carotenoids
journal, May 1995

Theory of Excited State Decays and Optical Spectra: Application to Polyatomic Molecules
journal, August 2010

The Energy Gap Law for Triplet States in Pt-Containing Conjugated Polymers and Monomers
journal, September 2001

Near-infrared fluorophores for biomedical imaging
journal, January 2017

Internal Rotation and the Breakdown of the Adiabatic Approximation: Many‐Phonon Radiationless Transitions
journal, March 1970

Free Energy Dependence of Photoinduced Electron Transfer in Octathiophene-Diimide Dyads
journal, December 2019

A transferable model for singlet-fission kinetics
journal, May 2014