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.
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页码：463 / 466
页数：4
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