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3-Ethynylcyclopropene: a highly suspicious crystal structure

Authors :
Henry F. Schaefer
Jason M. Gonzales
Paul von Ragué Schleyer
Steven S. Wesolowski
Source :
Chemical Communications. :439-440
Publication Year :
1999
Publisher :
Royal Society of Chemistry (RSC), 1999.

Abstract

High level ab initio structures for 3-ethynylcyclopropene contain a typical cyclopropene CC double bond of 1.296 A, in sharp contrast to a recent X-ray structure in which the CC double bond (1.255(2) A) is purported to be the shortest yet observed among all hydrocarbons.

Details

ISSN :
1364548X and 13597345
Database :
OpenAIRE
Journal :
Chemical Communications
Accession number :
edsair.doi...........e0508ec1eabdf772da83d1399ba3a64b
Full Text :
https://doi.org/10.1039/a809612k