A simple dimeric model accounts for the vibronic ECD spectra of chiral polythiophenes in their aggregated states

Padula Daniele; Santoro Fabrizio; Pescitelli Gennaro

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A simple dimeric model accounts for the vibronic ECD spectra of chiral polythiophenes in their aggregated states

机译：一个简单的二聚体模型，用于其聚集状态中的手性多粒子的颤音ECD光谱

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摘要

Aggregates of chiral polythiophenes (PTs) show strong electronic circular dichroism (ECD) spectra with a unique vibronic structure. A computationally fast procedure, exploiting the quantum dynamics of the exciton-coupled electronic states of simple oligothiophene dimers asmodels of PT aggregates, is able to reproduce experimental vibronic ECD spectra of aggregated phases.

机译：手性多粒细胞（PTS）的聚集体显示出具有独特的振动结构的强电子圆形二色（ECD）光谱。在计算上快速的过程，利用Pt聚集体的简单寡核蛋白二聚体的激子偶极电子状态的量子动态，能够再现聚集相的实验振动ECD光谱。

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《RSC Advances》 |2016年第44期|共6页
作者
Padula Daniele; Santoro Fabrizio; Pescitelli Gennaro;
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作者单位

Univ Pisa Dipartimento Chim &

Chim Ind Via G Moruzzi 13 I-56124 Pisa Italy;

UOS Pisa Ist Chim Composti Organo Metallici ICCOM CNR CNR Via G Moruzzi 1 I-56124 Pisa Italy;

Univ Pisa Dipartimento Chim &

Chim Ind Via G Moruzzi 13 I-56124 Pisa Italy;

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正文语种 eng
中图分类化学;
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1. A simple dimeric model accounts for the vibronic ECD spectra of chiral polythiophenes in their aggregated states [J] . Padula Daniele, Santoro Fabrizio, Pescitelli Gennaro RSC Advances . 2016,第44期

机译：一个简单的二聚体模型，用于其聚集状态中的手性多粒子的颤音ECD光谱
2. Analysis of the vibronic fine structure in circularly polarized emission spectra from chiral molecular aggregates [J] . Frank C.Spano, Zhen Zhao, Stefan C.J.Meskers The Journal of Chemical Physics . 2004,第22期

机译：手性分子聚集体圆极化发射光谱中的振动细结构分析
3. Chirality induction in metal-induced achiral polythiophene aggregates assisted by optically active amines and polythiophene [J] . Hidetoshi Goto, Yuko Yokochi, Eiji Yashima Chemical Communications . 2012,第27期

机译：光学活性胺和聚噻吩辅助下的金属诱导的非手性聚噻吩聚集体的手性诱导
4. LARCH: A package for estimating multinomial, nested, and cross-nested logit models that account for semi-aggregate data [C] . Jeffrey Newman, Virginie Lurkin, Laurie Garrow Annual AGIFORS symposium . 2016

机译：LARCH：一种用于估计占半汇总数据的多项式，嵌套和交叉嵌套的logit模型的软件包
5. Studies on regression modeling of spectral data as a means of chiral analysis. [D] . Ingle, Jemima Rose. 2006

机译：作为手性分析手段的光谱数据回归建模的研究。
6. Vibronic and Vibrational Coherences in Two-DimensionalElectronic Spectra of Supramolecular J-Aggregates [O] . Franz Milota, ValentynI. Prokhorenko, Tomas Mancal, -1

机译：二维的振动和振动相干性超分子J-聚集体的电子光谱
7. Analysis of the vibronic fine structure in circularly polarized emission spectra from chiral molecular aggregates [O] . Spano, FC, Zhao, Z, Meskers, SCJ Stefan 2004

机译：手性分子聚集体圆极化发射光谱中的振动细结构分析
8. Situational Force Scoring: Accounting for Combined Arms Effects in Aggregate Combat Models. [R] . Allen, P. 1992

机译：情境力量评分：综合作战模型中综合武器效应的核算。

A simple dimeric model accounts for the vibronic ECD spectra of chiral polythiophenes in their aggregated states

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