Defining the origins of multiple emission/excitation in rhenium-bisthiazole complexes

Nicholas Azzarelli; Shashikanth Ponnala; Alexander Aguirre; Sara J. Dampf; Margaret P. Davis; Michael T. Ruggiero; Valerie Lopez Diaz; John W. Babich; Michael Coogan; Timothy Korter; Robert P. Doyle; Jon Zubieta

doi:10.1016/j.ica.2019.01.028

Defining the origins of multiple emission/excitation in rhenium-bisthiazole complexes

Nicholas Azzarelli, Shashikanth Ponnala, Alexander Aguirre, Sara J. Dampf, Margaret P. Davis, Michael T. Ruggiero, Valerie Lopez Diaz, John W. Babich, Michael Coogan, Timothy Korter, Robert P. Doyle, Jon Zubieta

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

The underlying mechanism of the unusual emissive behavior of [Re(CO)₃-1,1-bis-4-thiazole-(1,4)-diaminobutane)] bromide (4-BT) has been investigated. Synthesis and spectroscopic characterization of structurally similar isomers ([Re(CO)₃-1,1-bis-2-thiazole-(1,4)-diaminobutane)] bromide (2-BT)) and the location of triplet states, solid state and low temperature spectroscopic measurements, and DFT calculations show that the photophysical properties are not due to photoisomerization as previously hypothesized. The results show that the unusual emissive behavior is not observed in structural isomers, is specific to the previously reported complex, 4-BT, and may arise from vibrational energy relaxation and vibrational cooling. Translation of the unusual emissive behavior to the solid state offers an interesting platform allowing this complex to be potentially utilized as a probe, sensor or photonic device.

Original language	English (US)
Pages (from-to)	301-309
Number of pages	9
Journal	Inorganica Chimica Acta
Volume	489
DOIs	https://doi.org/10.1016/j.ica.2019.01.028
State	Published - Apr 1 2019

Keywords

DFT
Fluorescence
Kasha-Vavilov Rule
Rhenium tricarbonyl
Solid state fluorescence
Thiazole ligands
X-ray crystallography

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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10.1016/j.ica.2019.01.028

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@article{42b356fa64174083b3c35a89a411da98,

title = "Defining the origins of multiple emission/excitation in rhenium-bisthiazole complexes",

abstract = "The underlying mechanism of the unusual emissive behavior of [Re(CO)3-1,1-bis-4-thiazole-(1,4)-diaminobutane)] bromide (4-BT) has been investigated. Synthesis and spectroscopic characterization of structurally similar isomers ([Re(CO)3-1,1-bis-2-thiazole-(1,4)-diaminobutane)] bromide (2-BT)) and the location of triplet states, solid state and low temperature spectroscopic measurements, and DFT calculations show that the photophysical properties are not due to photoisomerization as previously hypothesized. The results show that the unusual emissive behavior is not observed in structural isomers, is specific to the previously reported complex, 4-BT, and may arise from vibrational energy relaxation and vibrational cooling. Translation of the unusual emissive behavior to the solid state offers an interesting platform allowing this complex to be potentially utilized as a probe, sensor or photonic device.",

keywords = "DFT, Fluorescence, Kasha-Vavilov Rule, Rhenium tricarbonyl, Solid state fluorescence, Thiazole ligands, X-ray crystallography",

author = "Nicholas Azzarelli and Shashikanth Ponnala and Alexander Aguirre and Dampf, {Sara J.} and Davis, {Margaret P.} and Ruggiero, {Michael T.} and {Lopez Diaz}, Valerie and Babich, {John W.} and Michael Coogan and Timothy Korter and Doyle, {Robert P.} and Jon Zubieta",

note = "Publisher Copyright: {\textcopyright} 2019 Elsevier B.V.",

year = "2019",

month = apr,

day = "1",

doi = "10.1016/j.ica.2019.01.028",

language = "English (US)",

volume = "489",

pages = "301--309",

journal = "Inorganica Chimica Acta",

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publisher = "Elsevier",

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TY - JOUR

T1 - Defining the origins of multiple emission/excitation in rhenium-bisthiazole complexes

AU - Azzarelli, Nicholas

AU - Ponnala, Shashikanth

AU - Aguirre, Alexander

AU - Dampf, Sara J.

AU - Davis, Margaret P.

AU - Ruggiero, Michael T.

AU - Lopez Diaz, Valerie

AU - Babich, John W.

AU - Coogan, Michael

AU - Korter, Timothy

AU - Doyle, Robert P.

AU - Zubieta, Jon

PY - 2019/4/1

Y1 - 2019/4/1

N2 - The underlying mechanism of the unusual emissive behavior of [Re(CO)3-1,1-bis-4-thiazole-(1,4)-diaminobutane)] bromide (4-BT) has been investigated. Synthesis and spectroscopic characterization of structurally similar isomers ([Re(CO)3-1,1-bis-2-thiazole-(1,4)-diaminobutane)] bromide (2-BT)) and the location of triplet states, solid state and low temperature spectroscopic measurements, and DFT calculations show that the photophysical properties are not due to photoisomerization as previously hypothesized. The results show that the unusual emissive behavior is not observed in structural isomers, is specific to the previously reported complex, 4-BT, and may arise from vibrational energy relaxation and vibrational cooling. Translation of the unusual emissive behavior to the solid state offers an interesting platform allowing this complex to be potentially utilized as a probe, sensor or photonic device.

AB - The underlying mechanism of the unusual emissive behavior of [Re(CO)3-1,1-bis-4-thiazole-(1,4)-diaminobutane)] bromide (4-BT) has been investigated. Synthesis and spectroscopic characterization of structurally similar isomers ([Re(CO)3-1,1-bis-2-thiazole-(1,4)-diaminobutane)] bromide (2-BT)) and the location of triplet states, solid state and low temperature spectroscopic measurements, and DFT calculations show that the photophysical properties are not due to photoisomerization as previously hypothesized. The results show that the unusual emissive behavior is not observed in structural isomers, is specific to the previously reported complex, 4-BT, and may arise from vibrational energy relaxation and vibrational cooling. Translation of the unusual emissive behavior to the solid state offers an interesting platform allowing this complex to be potentially utilized as a probe, sensor or photonic device.

KW - DFT

KW - Fluorescence

KW - Kasha-Vavilov Rule

KW - Rhenium tricarbonyl

KW - Solid state fluorescence

KW - Thiazole ligands

KW - X-ray crystallography

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DO - 10.1016/j.ica.2019.01.028

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SN - 0020-1693

VL - 489

SP - 301

EP - 309

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

ER -

Defining the origins of multiple emission/excitation in rhenium-bisthiazole complexes

Abstract

Keywords

ASJC Scopus subject areas

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