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Tetraphenylallylsodium Diethyl Ether: A Contact Ion Pair with an Intramolecular Na ⊕ Sandwich
Author(s) -
Bock Hans,
Ruppert Klaus,
Havlas Zdenek,
Fenske Dieter
Publication year - 1990
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.199010421
Subject(s) - mndo , allene , chemistry , ion , ether , intramolecular force , diethyl ether , crystallography , computational chemistry , stereochemistry , molecule , organic chemistry , catalysis
A dibenzenesodium sandwich and an ether “plug” are the salient features of the structure of 1 . The structural changes occurring on reduction of tetraphenylallene to 1 are similar to those previously found from MNDO calculations for the reduction of allene. MNDO calculations also offer an explanation for the observed coordination of the sodium ion: the sum of the charges on the two complexing benzene rings is greater than that of an allyl anion center.