Double donation in trigonal planar iron–carbodiphosphorane complexes – a concise study on their spectroscopic and electronic properties

2020 ◽  
Vol 49 (8) ◽  
pp. 2537-2546 ◽  
Author(s):  
Nis-Julian H. Kneusels ◽  
Jörn E. Münzer ◽  
Kimon Flosdorf ◽  
Dandan Jiang ◽  
Bernhard Neumüller ◽  
...  
Keyword(s):  
Electronic Properties ◽  
High Spin

Trigonal planar carbodiphosphorane (CDP) iron(ii) complexes [CDPR-Fe{N(SiMe3)2}2] (CDPR: R = Ph or Me) with high spin configurations are presented.

Theory Of 3d Transition Metal Defects In 3C SiC

1996 ◽  
Vol 442 ◽  
Author(s):  
Harald Overhof
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Electronic Properties ◽  
Crystal Field ◽  
High Spin ◽  
Crystal Field Splitting ◽  
Large Crystal ◽  
Field Splitting ◽  
Vacancy Model ◽  
The Difference

AbstractThe electronic properties of 3d transition metal (TM) defects located on one of the four different tetrahedral positions in 3C SiC are shown to be quite site-dependent. We explain the differences for the 3d TMs on the two substitutional sites within the vacancy model: the difference of the electronic structure between the carbon vacancy VC and the silicon vacancy VSi is responsible for the differences of the 3d TMs. The electronic properties of 3d TMs on the two tetrahedral interstitial sites differ even more: the TMs surrounded tetrahedrally by four Si atoms experience a large crystal field splitting while the tetrahedral C environment does not give rise to a significant crystal field splitting at all. It is only in the latter case that high-spin configurations are predicted.

The electronic properties of three popular high spin complexes [TM(acac)3, TM = Cr, Mn, and Fe] revisited: an experimental and theoretical study

2017 ◽  
Vol 19 (36) ◽  
pp. 24840-24854 ◽  
Author(s):  
S. Carlotto ◽  
L. Floreano ◽  
A. Cossaro ◽  
M. Dominguez ◽  
M. Rancan ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Structural Properties ◽  
High Spin ◽  
Spectroscopic Data ◽  
Theoretical Study ◽  
Combined Use ◽  
Electronic And Structural Properties ◽  
Bonding Scheme

The combined use of NEXAFS spectroscopic data and DFT results on TM(acac)3(TM = Cr, Mn, Fe) allowed us to look into the TM–ligand bonding scheme and to rationalize the peculiar electronic and structural properties of the title complexes.

scholarly journals Increase of Direct C–C Coupling Reaction Yield by Identifying Structural and Electronic Properties of High-Spin Iron Tetra-azamacrocyclic Complexes

2018 ◽  
Vol 57 (15) ◽  
pp. 8890-8902 ◽  
Author(s):  
Samantha M. Brewer ◽  
Kevin R. Wilson ◽  
Donald G. Jones ◽  
Eric W. Reinheimer ◽  
Stephen J. Archibald ◽  
...  
Keyword(s):  
Electronic Properties ◽  
High Spin ◽  
Coupling Reaction ◽  
Reaction Yield ◽  
Structural And Electronic Properties ◽  
Azamacrocyclic Complexes ◽  
High Spin Iron

Steric Trapping of the High Spin State in FeIII Quinolylsalicylaldimine Complexes

2014 ◽  
Vol 67 (11) ◽  
pp. 1574 ◽  
Author(s):  
Darunee Sertphon ◽  
David J. Harding ◽  
Phimphaka Harding ◽  
Keith S. Murray ◽  
Boujemaa Moubaraki ◽  
...  
Keyword(s):  
Schiff Base ◽  
Electronic Properties ◽  
High Spin ◽  
Spin State ◽  
Schiff Base Ligand ◽  
Room Temperature ◽  
Spin Crossover ◽  
High Spin State ◽  
Electrochemical Studies ◽  
Magnetic Studies

A new sterically bulky Schiff base ligand, N-(8-quinolyl)-5-tert-butylsalicylaldimine (Hqsal-5-tBu) has been prepared and a series of FeIII complexes, [Fe(qsal-5-tBu)2]Y (Y = Cl 1, ClO4 2, NO3 3, BF4 4) utilising this ligand are reported and fully characterised. UV-vis spectroscopic and electrochemical studies indicate that 1–4 are high spin (HS) in solution at room temperature and further suggest that the tBu group only slightly alters the electronic properties of 1–4 compared with related [Fe(qsal-5-X)2]+ systems. The structures of [Fe(qsal-5-tBu)2]Cl·4MeOH·H2O 1, [Fe(qsal-5-tBu)2]ClO4·MeOH 2, and [Fe(qsal-5-tBu)2]NO3 3 determined at 100 K reveal HS FeIII centres in all cases. Four-fold parallel aryl embraces and π–π interactions serve to link the cations forming 2D sheets mirroring the motifs found in other [Fe(qsal-5-X)2]+ complexes. Despite this the tBu group causes strong distortions at the Fe centre which as magnetic studies reveal prevent spin crossover trapping 1–4 in the HS state.

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