The Last Globally Stable Extended Alkane

被引：95

作者：

Luettschwager, Nils O. B. ^{[1
]}

Wassermann, Tobias N. ^{[1
]}

Mata, Ricardo A. ^{[1
]}

Suhm, Martin A. ^{[1
]}

机构：

[1] Univ Gottingen, Inst Phys Chem, D-37077 Gottingen, Germany

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2013年 / 52卷 / 01期

关键词：

chain molecules; conformational analysis; dispersion; molecular folding; Raman spectroscopy; ENTHALPY DIFFERENCE; BASIS-SETS; MOLECULES;

D O I：

10.1002/anie.201202894

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Mother of all folding: Cold isolated linear alkanes CnH 2n+2 prefer an extended alltrans conformation before cohesive forces between the chain ends induce a folded hairpin structure for longer chains. It is shown by Raman spectroscopy at 100-150 K that the folded structure becomes more stable beyond nC=17 or 18 carbon atoms. High-level quantum-chemical calculations yield nC=17±1 as the critical chain length. © 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：463 / 466

页数：4

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