CHARACTERISTIC FREQUENCIES OF HYDROGEN-BRIDGED CARBOCATIONS - IR-SPECTRA AND ABINITIO CALCULATIONS OF THE NONCLASSICAL STRUCTURES OF THE CYCLOOCTYL CATION

被引：26

作者：

BUZEK, P

SCHLEYER, PV

VANCIK, H

SUNKO, DE

机构：

[1] UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, HENKESTR 42, W-8520 ERLANGEN, GERMANY

[2] UNIV ZAGREB, FAC SCI, DEPT CHEM, YU-41000 ZAGREB, CROATIA

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1991年 / 21期

关键词：

D O I：

10.1039/c39910001538

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The symmetrically H-bridged structure of the cyclooctyl cation is confirmed definitively by the characteristic IR vibration at 1845 cm-1 and by the agreement of the IGLO chemical shifts calculated with MP2/6-31G* geometry of the chair-boat (C(s)) conformation with the experimental NMR values.

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页码：1538 / 1540

页数：3

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