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Ethylene Oxide—X‐Ray Structure Analysis (at 150 K) and ab initio Calculations
Author(s) -
Luger Peter,
Zaki Chakib,
Buschmann Jürgen,
Rudert Rainer
Publication year - 1986
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.198602761
Subject(s) - ethylene oxide , ethylene , ab initio , oxide , equilateral triangle , crystallography , materials science , bond length , ab initio quantum chemistry methods , chemistry , computational chemistry , crystal structure , molecule , organic chemistry , geometry , metallurgy , catalysis , mathematics , polymer , copolymer
Carrying out an X‐ray structure analysis of a substance melting at −112°C is no easy task. However, the effort put into accomplishing such an analysis of ethylene oxide has been worthwhile, since the result is surprising: In the crystalline state the carbon atoms and the oxygen atoms in ethylene oxide 1 form an almost equilateral triangle with CC and CO bond lengths of ca. 143 pm. This is other than what was found in earlier investigations of ethylene oxide in the liquid and gaseous states.