Monitoring Photo-induced Population Dynamics in Metastable Linkage Isomer Crystals: A Crystallographic Kinetic Study of [Pd(Bu4dien)NO2]BPh4

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Abstract

We present a detailed kinetic study of photo-induced solid state linkage isomerism in the compound [Pd(Bu4dien)NO2]BPh4(Bu4dien = N,N,N’,N’-tetrabutyldiethylenetriamine) using in-situ photocrystallographic techniques. We explore the keyvariables that influence the photoconversion and develop a detailed kinetic model for the excitation and decay processesand the temperature dependence of the conversion rates. We show that by varying the temperature the lifetime of theexcited state can be varied over orders of magnitude, making these systems ideal test cases for the development of newtime-resolved X-ray diffraction methods. The kinetic model is used to build a numerical-simulation tool, which we use toexplore the practicalities of pump-probe single-crystal diffraction experiments with minute and second time-resolution.
LanguageEnglish
Pages5874-5886
Number of pages15
JournalPhysical Chemistry Chemical Physics
Volume20
Issue number8
Early online date31 Jan 2018
DOIs
StatusPublished - 28 Feb 2018

Fingerprint

Population dynamics
linkages
Isomers
isomers
Crystals
Kinetics
Monitoring
kinetics
crystals
diffraction
Diffraction
Single crystals
Pumps
pumps
solid state
X ray diffraction
life (durability)
Temperature
temperature dependence
probes

Keywords

  • Photocrystallography
  • Linkage isomers

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

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title = "Monitoring Photo-induced Population Dynamics in Metastable Linkage Isomer Crystals: A Crystallographic Kinetic Study of [Pd(Bu4dien)NO2]BPh4",
abstract = "We present a detailed kinetic study of photo-induced solid state linkage isomerism in the compound [Pd(Bu4dien)NO2]BPh4(Bu4dien = N,N,N’,N’-tetrabutyldiethylenetriamine) using in-situ photocrystallographic techniques. We explore the keyvariables that influence the photoconversion and develop a detailed kinetic model for the excitation and decay processesand the temperature dependence of the conversion rates. We show that by varying the temperature the lifetime of theexcited state can be varied over orders of magnitude, making these systems ideal test cases for the development of newtime-resolved X-ray diffraction methods. The kinetic model is used to build a numerical-simulation tool, which we use toexplore the practicalities of pump-probe single-crystal diffraction experiments with minute and second time-resolution.",
keywords = "Photocrystallography, Linkage isomers",
author = "Hatcher, {Lauren E.} and Skelton, {Jonathan M.} and Warren, {Mark R} and Clare Stubbs and {Da Silva}, {Estelina Lora} and Raithby, {Paul R.}",
year = "2018",
month = "2",
day = "28",
doi = "10.1039/C7CP05422J",
language = "English",
volume = "20",
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journal = "Physical Chemistry Chemical Physics",
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publisher = "Royal Society of Chemistry",
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T1 - Monitoring Photo-induced Population Dynamics in Metastable Linkage Isomer Crystals: A Crystallographic Kinetic Study of [Pd(Bu4dien)NO2]BPh4

AU - Hatcher,Lauren E.

AU - Skelton,Jonathan M.

AU - Warren,Mark R

AU - Stubbs,Clare

AU - Da Silva,Estelina Lora

AU - Raithby,Paul R.

PY - 2018/2/28

Y1 - 2018/2/28

N2 - We present a detailed kinetic study of photo-induced solid state linkage isomerism in the compound [Pd(Bu4dien)NO2]BPh4(Bu4dien = N,N,N’,N’-tetrabutyldiethylenetriamine) using in-situ photocrystallographic techniques. We explore the keyvariables that influence the photoconversion and develop a detailed kinetic model for the excitation and decay processesand the temperature dependence of the conversion rates. We show that by varying the temperature the lifetime of theexcited state can be varied over orders of magnitude, making these systems ideal test cases for the development of newtime-resolved X-ray diffraction methods. The kinetic model is used to build a numerical-simulation tool, which we use toexplore the practicalities of pump-probe single-crystal diffraction experiments with minute and second time-resolution.

AB - We present a detailed kinetic study of photo-induced solid state linkage isomerism in the compound [Pd(Bu4dien)NO2]BPh4(Bu4dien = N,N,N’,N’-tetrabutyldiethylenetriamine) using in-situ photocrystallographic techniques. We explore the keyvariables that influence the photoconversion and develop a detailed kinetic model for the excitation and decay processesand the temperature dependence of the conversion rates. We show that by varying the temperature the lifetime of theexcited state can be varied over orders of magnitude, making these systems ideal test cases for the development of newtime-resolved X-ray diffraction methods. The kinetic model is used to build a numerical-simulation tool, which we use toexplore the practicalities of pump-probe single-crystal diffraction experiments with minute and second time-resolution.

KW - Photocrystallography

KW - Linkage isomers

U2 - 10.1039/C7CP05422J

DO - 10.1039/C7CP05422J

M3 - Article

VL - 20

SP - 5874

EP - 5886

JO - Physical Chemistry Chemical Physics

T2 - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 8

ER -