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Synthesis of [Cp′Fe(η 3 ‐BH 4 )] and Its Conversion to [Cp′FeBH 2 ] 3
Author(s) -
Maekawa Miyuki,
Daniliuc Constantin G.,
Jones Peter G.,
Hohenberger Johannes,
Sutter Jörg,
Meyer Karsten,
Walter Marc D.
Publication year - 2013
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201300168
Subject(s) - chemistry , crystallography , boron , molecule , metathesis , tetrahydrofuran , computational chemistry , stereochemistry , solvent , organic chemistry , polymer , polymerization
Salt metathesis of [Cp′FeI] 2 [ 1 , Cp′ = η 5 ‐1,2,4‐(Me 3 C) 3 C 5 H 2 ] and NaBH 4 (2 equiv.) in tetrahydrofuran yields the low‐spin iron complex [Cp′Fe(η 3 ‐BH 4 )] ( 2 ), which is thermally unstable and degrades slowly to the trimeric complex [Cp′FeBH 2 ] 3 ( 3 ) and H 2 . Both molecules have been fully characterized by various spectroscopic techniques. An X‐ray structure analysis of 3 confirms its nature and reveals rather long B–B distances of 1.883(9) Å. DFT methods in combination with three complementary approaches [Wiberg bond indices (WBI), atoms in molecules (AIM) and compliance constants] have been used to explain the bonding in these iron(II) complexes. All methods predict a weak bonding interaction between the boron atoms in 3 .