In:
European Journal of Inorganic Chemistry, Wiley, Vol. 2013, No. 22-23 ( 2013-08-06), p. 4097-4104
Abstract:
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 .
Type of Medium:
Online Resource
ISSN:
1434-1948
,
1099-0682
DOI:
10.1002/ejic.v2013.22/23
DOI:
10.1002/ejic.201300168
Language:
English
Publisher:
Wiley
Publication Date:
2013
detail.hit.zdb_id:
1475009-0
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