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1‐Alkyl‐2,5‐( ortho ‐phenylene)‐1‐carbapenta‐borane(10)
Author(s) -
Gangnus Bernd,
Stock Harald,
Siebert Walter,
Hofmann Matthias,
von Ragué Schleyer Paul
Publication year - 1994
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.199422961
Subject(s) - borane , carborane , yield (engineering) , alkyl , ab initio , chemistry , phenylene , boranes , ab initio quantum chemistry methods , computational chemistry , crystallography , materials science , stereochemistry , organic chemistry , molecule , boron , catalysis , polymer , metallurgy
An unexpected result was obtained from the reaction of 1 with borane. Instead of the nido ‐carborane 2 , the arachno ‐carborane 3 was formed in more than 80% yield. The structural characterization is based on the comparison of experimental NMR data with those calculated at the ab initio level.