α-Oligofurans show a sizeable extent of π-conjugation as probed by Raman spectroscopy

被引：33

作者：

Ferron, Cristina Capel ^{[2
]}

Delgado, M. Carmen Ruiz ^{[2
]}

Gidron, Ori ^{[1
]}

Sharma, Sagar ^{[1
]}

Sheberla, Dennis ^{[1
]}

Sheynin, Yana ^{[1
]}

Bendikov, Michael ^{[1
]}

Navarrete, Juan T. Lopez ^{[2
]}

Hernandez, Victor ^{[2
]}

机构：

[1] Weizmann Inst Sci, Dept Organ Chem, IL-76100 Rehovot, Israel

[2] Univ Malaga, Dept Phys Chem, Malaga 29071, Spain

来源：

CHEMICAL COMMUNICATIONS | 2012年 / 48卷 / 53期

基金：

以色列科学基金会;

关键词：

HETEROCYCLIC OLIGOMERS; VIBRATIONAL-SPECTRA; HOPPING TRANSPORT; MOLECULES; PRISTINE;

D O I：

10.1039/c2cc18144d

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A Raman spectroscopic analysis revealed that pi-conjugation does not reach saturation at least up to the octamer in long alpha-oligofurans and spreads over 14-15 furan units in the polyfuran. Comparing DFT calculations with experimental results suggests that a considerable amount of HF exchange is required to reproduce computationally the observed conjugation.

引用

页码：6732 / 6734

页数：3

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