Nature of Excited States of Ruthenium-Based Solar Cell Dyes in Solution: A Comprehensive Spectroscopic Study

Raphael Horvath; Michael G. Fraser; Charlotte A. Clark; Xue Zhong Sun; Michael W. George; Keith C. Gordon

doi:10.1021/acs.inorgchem.5b01690

Nature of Excited States of Ruthenium-Based Solar Cell Dyes in Solution: A Comprehensive Spectroscopic Study

Raphael Horvath
, Michael G. Fraser
, Charlotte A. Clark
, Xue Zhong Sun
, Michael W. George^*
, Keith C. Gordon

^*Corresponding author for this work

Department of Chemical and Environmental Engineering

Research output: Journal Publication › Article › peer-review

16 Citations (Scopus)

Abstract

The photophysical properties of a number of ruthenium complexes of the general structure [Ru(L1)(L2)(NCS)₂], related to the prominent solar cell dye [Ru(dcb)₂(NCS)₂] (dcb = 4,4′-dicarboxylato-2,2′-bipyridine) are investigated. For L1 = dcb and dmb (dmb = 4,4′-dimethyl-2,2′-bipyridine), several variations of L2 show very little difference in the lowest energy absorption peak. Resonance Raman and density functional theory calculations have been used to assign the corresponding transitions as {Ru(NCS)₂} → dcb with significant contributions of the NCS ligands. Transient absorption, time-resolved infrared, and transient resonance Raman spectroscopic techniques were used to probe the photophysics of the complexes and relatively short-lived {Ru(NCS)₂} → dcb/dpb (dpb = 4,4′-diphenylethenyl-2,2′-bipyridine) excited states were observed with the exception of [Ru(dcb)(dab)(NCS)₂] (dab = 4,4′-dianthracenethenyl-2,2′-bipyridine), which showed a long-lived excited state assigned as ligand centered charge separated.

Original language	English
Pages (from-to)	11697-11708
Number of pages	12
Journal	Inorganic Chemistry
Volume	54
Issue number	24
DOIs	https://doi.org/10.1021/acs.inorgchem.5b01690
Publication status	Published - 21 Dec 2015

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This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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@article{4ca287afdcb64402aa8d02dc5264e9e4,

title = "Nature of Excited States of Ruthenium-Based Solar Cell Dyes in Solution: A Comprehensive Spectroscopic Study",

abstract = "The photophysical properties of a number of ruthenium complexes of the general structure [Ru(L1)(L2)(NCS)2], related to the prominent solar cell dye [Ru(dcb)2(NCS)2] (dcb = 4,4′-dicarboxylato-2,2′-bipyridine) are investigated. For L1 = dcb and dmb (dmb = 4,4′-dimethyl-2,2′-bipyridine), several variations of L2 show very little difference in the lowest energy absorption peak. Resonance Raman and density functional theory calculations have been used to assign the corresponding transitions as \{Ru(NCS)2\} → dcb with significant contributions of the NCS ligands. Transient absorption, time-resolved infrared, and transient resonance Raman spectroscopic techniques were used to probe the photophysics of the complexes and relatively short-lived \{Ru(NCS)2\} → dcb/dpb (dpb = 4,4′-diphenylethenyl-2,2′-bipyridine) excited states were observed with the exception of [Ru(dcb)(dab)(NCS)2] (dab = 4,4′-dianthracenethenyl-2,2′-bipyridine), which showed a long-lived excited state assigned as ligand centered charge separated.",

author = "Raphael Horvath and Fraser, \{Michael G.\} and Clark, \{Charlotte A.\} and Sun, \{Xue Zhong\} and George, \{Michael W.\} and Gordon, \{Keith C.\}",

note = "Publisher Copyright: {\textcopyright} 2015 American Chemical Society.",

year = "2015",

month = dec,

day = "21",

doi = "10.1021/acs.inorgchem.5b01690",

language = "English",

volume = "54",

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journal = "Inorganic Chemistry",

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publisher = "American Chemical Society",

number = "24",

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T1 - Nature of Excited States of Ruthenium-Based Solar Cell Dyes in Solution

T2 - A Comprehensive Spectroscopic Study

AU - Horvath, Raphael

AU - Fraser, Michael G.

AU - Clark, Charlotte A.

AU - Sun, Xue Zhong

AU - George, Michael W.

AU - Gordon, Keith C.

PY - 2015/12/21

Y1 - 2015/12/21

N2 - The photophysical properties of a number of ruthenium complexes of the general structure [Ru(L1)(L2)(NCS)2], related to the prominent solar cell dye [Ru(dcb)2(NCS)2] (dcb = 4,4′-dicarboxylato-2,2′-bipyridine) are investigated. For L1 = dcb and dmb (dmb = 4,4′-dimethyl-2,2′-bipyridine), several variations of L2 show very little difference in the lowest energy absorption peak. Resonance Raman and density functional theory calculations have been used to assign the corresponding transitions as {Ru(NCS)2} → dcb with significant contributions of the NCS ligands. Transient absorption, time-resolved infrared, and transient resonance Raman spectroscopic techniques were used to probe the photophysics of the complexes and relatively short-lived {Ru(NCS)2} → dcb/dpb (dpb = 4,4′-diphenylethenyl-2,2′-bipyridine) excited states were observed with the exception of [Ru(dcb)(dab)(NCS)2] (dab = 4,4′-dianthracenethenyl-2,2′-bipyridine), which showed a long-lived excited state assigned as ligand centered charge separated.

AB - The photophysical properties of a number of ruthenium complexes of the general structure [Ru(L1)(L2)(NCS)2], related to the prominent solar cell dye [Ru(dcb)2(NCS)2] (dcb = 4,4′-dicarboxylato-2,2′-bipyridine) are investigated. For L1 = dcb and dmb (dmb = 4,4′-dimethyl-2,2′-bipyridine), several variations of L2 show very little difference in the lowest energy absorption peak. Resonance Raman and density functional theory calculations have been used to assign the corresponding transitions as {Ru(NCS)2} → dcb with significant contributions of the NCS ligands. Transient absorption, time-resolved infrared, and transient resonance Raman spectroscopic techniques were used to probe the photophysics of the complexes and relatively short-lived {Ru(NCS)2} → dcb/dpb (dpb = 4,4′-diphenylethenyl-2,2′-bipyridine) excited states were observed with the exception of [Ru(dcb)(dab)(NCS)2] (dab = 4,4′-dianthracenethenyl-2,2′-bipyridine), which showed a long-lived excited state assigned as ligand centered charge separated.

UR - https://www.scopus.com/pages/publications/84951733335

U2 - 10.1021/acs.inorgchem.5b01690

DO - 10.1021/acs.inorgchem.5b01690

M3 - Article

AN - SCOPUS:84951733335

SN - 0020-1669

VL - 54

SP - 11697

EP - 11708

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 24

ER -

Nature of Excited States of Ruthenium-Based Solar Cell Dyes in Solution: A Comprehensive Spectroscopic Study

Abstract

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