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Toward an Understanding of How the Optical Property of Water-Soluble Cationic Polythiophene Derivative Is Altered by the Addition of Salts: The Hofmeister Effect
Qiu, Meng; Long, Saran; Li, Boxuan; Yan, Linyin; Xie, Weiwei; Niu, Yingli; Wang, Xuefei; Guo, Qianjin; Xia, Andong1
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
2013-10-24
DOI10.1021/jp407430y
Volume117Issue:42Pages:21870-21878
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science
WOS KeywordCONJUGATED POLYMERS ; MOLECULAR-DYNAMICS ; LIQUID WATER ; CHEMICAL SENSORS ; EXCITED-STATES ; NUCLEIC-ACIDS ; DNA DETECTION ; FORCE-FIELD ; SIDE-CHAINS ; THIN-FILMS
AbstractHofmeister ion-specific effects on optical properties of a water-soluble cationic polymer, poly(3-alkoxy-4-methylthiophene) (PMNT), are investigated by means of absorption, resonance Raman spectroscopy, and molecular dynamic simulations. It is found that the ionochromism of conjugated polyelectrolytes PMNT obeys Hofmeister series with high optical sensitivity, while the spectral changes result from the different electrostatic interactions and the conformational change of the cationic PMNT in different salt solutions. As a result, UV-vis absorption spectra exhibit almost no shift of absorption of PMNT in the presence of SO42-, F-, etc., whereas a red-shifted absorption of PMNT with I-, SCN- is clearly observed. To gain a deeper understanding of the nature of these anion-dependent chromic phenomena, ab initio calculations and molecular dynamics (MD) simulations are carried out to present the microscopic insights, that the Hofmeister effect occurs at the PMNT/water interface through the direct (hydrophobic, hydrophilic, and electrostatic) interactions between the anions and PMNT backbone. It is found that the salting-in anions like I- strongly suppress the hydrophobic collapse of PMNT backbone, leading to more extended and ordered PMNT backbone with red-shifted absorption, and the salting-out anions like F- strongly avoid the hydrophobic PMNT backbone, keeping a random-coiled configuration of PMNT backbone without obvious absorption changes in KF solution. The existence of ordered and disordered backbone configurations is further verified by monitoring the main in-plane skeleton Raman modes (C=C and C-C stretch) of PMNT in various salt solutions. The results presented here could provide a fundamental understanding of salt effects on chemical and biological processes occurring at the macromolecular/water interface, and then may potentially stimulate many chemical and biological applications.
Language英语
WOS IDWOS:000326260000029
Citation statistics
Cited Times:10[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/137659
Collection中国科学院大连化学物理研究所
Affiliation1.Chinese Acad Sci, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Inst Chem, BNLMS, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Qiu, Meng,Long, Saran,Li, Boxuan,et al. Toward an Understanding of How the Optical Property of Water-Soluble Cationic Polythiophene Derivative Is Altered by the Addition of Salts: The Hofmeister Effect[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2013,117(42):21870-21878.
APA Qiu, Meng.,Long, Saran.,Li, Boxuan.,Yan, Linyin.,Xie, Weiwei.,...&Xia, Andong.(2013).Toward an Understanding of How the Optical Property of Water-Soluble Cationic Polythiophene Derivative Is Altered by the Addition of Salts: The Hofmeister Effect.JOURNAL OF PHYSICAL CHEMISTRY C,117(42),21870-21878.
MLA Qiu, Meng,et al."Toward an Understanding of How the Optical Property of Water-Soluble Cationic Polythiophene Derivative Is Altered by the Addition of Salts: The Hofmeister Effect".JOURNAL OF PHYSICAL CHEMISTRY C 117.42(2013):21870-21878.
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