Experimental and theoretical studies on pyrene-grafted polyoxometalate hybrid

A novel pyrene covalently-attached polyoxometalate (POM) hybrid has been synthesized and fully characterized. The attractive electronic and photophysical properties of pyrene derivatives make the hybrid promising for studying and understanding electron transfer mechanisms in organic-functionalized P...

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Main Authors: Chen, Hongyu, Li, Yongxin, Liu, Xinfeng, Liu, Yi, Yu, Lingling, Feng, Yuhua, Gao, Junkuo, Rakesh, Ganguly, Huan, Alfred Cheng Hon, Sum, Tze Chien, Zhao, Yang, Zhang, Qichun
Other Authors: School of Materials Science & Engineering
Format: Article
Language:English
Published: 2013
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Online Access:https://hdl.handle.net/10356/96764
http://hdl.handle.net/10220/9951
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Institution: Nanyang Technological University
Language: English
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spelling sg-ntu-dr.10356-967642023-02-28T19:32:00Z Experimental and theoretical studies on pyrene-grafted polyoxometalate hybrid Chen, Hongyu Li, Yongxin Liu, Xinfeng Liu, Yi Yu, Lingling Feng, Yuhua Gao, Junkuo Rakesh, Ganguly Huan, Alfred Cheng Hon Sum, Tze Chien Zhao, Yang Zhang, Qichun School of Materials Science & Engineering DRNTU::Engineering::Materials::Microelectronics and semiconductor materials A novel pyrene covalently-attached polyoxometalate (POM) hybrid has been synthesized and fully characterized. The attractive electronic and photophysical properties of pyrene derivatives make the hybrid promising for studying and understanding electron transfer mechanisms in organic-functionalized POMs. The hybrid has an electronic absorption at 450 nm, indicating that there is a strong electronic interaction between the organic pyreneimido group and inorganic hexamolybdate cluster. The electron transfer mechanism of the as-prepared hybrid is illuminated via the combined studies of theoretical calculations and transient absorption spectroscopy. Time-dependent density functional theory studies revealed that the strong electronic absorption at the visible region mainly comes from the optically allowed π–π* transitions of the pyreneimido component (S0 to S2 transition). The electron transfer process from the excited pyreneimido moiety to the inorganic POM cluster is at the time scale of [similar]700 fs, which could be ascribed to the internal conversion of singlet excited states from S2 state to S1 state. This study provided a clear understanding of the mechanism governing the electron transfer process in organoimido derivatives of POMs. This result might offer a new route for the design of new charge transfer hybrid clusters of organic functionalized POMs and crucial guidance for their applications in optical and electrical devices. Accepted version 2013-05-21T06:45:02Z 2019-12-06T19:34:46Z 2013-05-21T06:45:02Z 2019-12-06T19:34:46Z 2012 2012 Journal Article Gao, J., Liu, X., Liu, Y., Yu, L., Feng, Y., Chen, H., et al. (2012). Experimental and theoretical studies on pyrene-grafted polyoxometalate hybrid. Dalton Transactions, 41, 12185-12191. https://hdl.handle.net/10356/96764 http://hdl.handle.net/10220/9951 10.1039/C2DT31474F 171785 en Dalton transactions © 2012 The Royal Society of Chemistry. This paper was published in Dalton transactions and is made available as an electronic reprint (preprint) with permission of The Royal Society of Chemistry. The paper can be found at the following official DOI: [http://dx.doi.org/10.1039/C2DT31474F]. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper is prohibited and is subject to penalties under law. application/pdf
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic DRNTU::Engineering::Materials::Microelectronics and semiconductor materials
spellingShingle DRNTU::Engineering::Materials::Microelectronics and semiconductor materials
Chen, Hongyu
Li, Yongxin
Liu, Xinfeng
Liu, Yi
Yu, Lingling
Feng, Yuhua
Gao, Junkuo
Rakesh, Ganguly
Huan, Alfred Cheng Hon
Sum, Tze Chien
Zhao, Yang
Zhang, Qichun
Experimental and theoretical studies on pyrene-grafted polyoxometalate hybrid
description A novel pyrene covalently-attached polyoxometalate (POM) hybrid has been synthesized and fully characterized. The attractive electronic and photophysical properties of pyrene derivatives make the hybrid promising for studying and understanding electron transfer mechanisms in organic-functionalized POMs. The hybrid has an electronic absorption at 450 nm, indicating that there is a strong electronic interaction between the organic pyreneimido group and inorganic hexamolybdate cluster. The electron transfer mechanism of the as-prepared hybrid is illuminated via the combined studies of theoretical calculations and transient absorption spectroscopy. Time-dependent density functional theory studies revealed that the strong electronic absorption at the visible region mainly comes from the optically allowed π–π* transitions of the pyreneimido component (S0 to S2 transition). The electron transfer process from the excited pyreneimido moiety to the inorganic POM cluster is at the time scale of [similar]700 fs, which could be ascribed to the internal conversion of singlet excited states from S2 state to S1 state. This study provided a clear understanding of the mechanism governing the electron transfer process in organoimido derivatives of POMs. This result might offer a new route for the design of new charge transfer hybrid clusters of organic functionalized POMs and crucial guidance for their applications in optical and electrical devices.
author2 School of Materials Science & Engineering
author_facet School of Materials Science & Engineering
Chen, Hongyu
Li, Yongxin
Liu, Xinfeng
Liu, Yi
Yu, Lingling
Feng, Yuhua
Gao, Junkuo
Rakesh, Ganguly
Huan, Alfred Cheng Hon
Sum, Tze Chien
Zhao, Yang
Zhang, Qichun
format Article
author Chen, Hongyu
Li, Yongxin
Liu, Xinfeng
Liu, Yi
Yu, Lingling
Feng, Yuhua
Gao, Junkuo
Rakesh, Ganguly
Huan, Alfred Cheng Hon
Sum, Tze Chien
Zhao, Yang
Zhang, Qichun
author_sort Chen, Hongyu
title Experimental and theoretical studies on pyrene-grafted polyoxometalate hybrid
title_short Experimental and theoretical studies on pyrene-grafted polyoxometalate hybrid
title_full Experimental and theoretical studies on pyrene-grafted polyoxometalate hybrid
title_fullStr Experimental and theoretical studies on pyrene-grafted polyoxometalate hybrid
title_full_unstemmed Experimental and theoretical studies on pyrene-grafted polyoxometalate hybrid
title_sort experimental and theoretical studies on pyrene-grafted polyoxometalate hybrid
publishDate 2013
url https://hdl.handle.net/10356/96764
http://hdl.handle.net/10220/9951
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