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Chlorobis(dppe)iron hydride

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Chlorobis(dppe)iron hydride
Names
IUPAC name Chlorohydridobis(bis-1,2-(diphenylphosphino)ethane)iron(II)
Identifiers
CAS Number
3D model (JSmol)
PubChem CID
CompTox Dashboard (EPA)
InChI
  • InChI=1S/2C26H24P2.ClH.Fe.H/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h2*1-20H,21-22H2;1H;;/q;;;+1;/p-1Key: NSXBDVRBULAONI-UHFFFAOYSA-M
SMILES
  • Cl56((c1ccccc1)(c2ccccc2)CC5(c3ccccc3)c4ccccc4)(c1ccccc1)(c2ccccc2)CC6(c3ccccc3)c4ccccc4
Properties
Chemical formula C52H49ClFeP4
Molar mass 889.09
Appearance red-violet solid
Melting point 195 °C (383 °F; 468 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

Chlorobis(dppe)iron hydride is a coordination complex with the formula HFeCl(dppe)2, where dppe is the bidentate ligand 1,2-bis(diphenylphosphino)ethane. It is a red-violet solid. The compound has attracted much attention as a precursor to dihydrogen complexes.

Structure

The complex exhibits octahedral molecular geometry. The chloride and hydride ligands are mutually trans. The bond distances between the iron metal atom and the coordinating ligands are given by the following:

Bond Bond distance
Fe-P1 2.238
Fe-P2 2.256
Fe-P3 2.236
Fe-P4 2.255
Fe-Cl 2.404
Fe-H 1.313

Synthesis and reactions

The compound is synthesized according to the following idealized reaction:

FeCl2 + 2 dppe + Na → NaCl + ½ B2H6 + HFeCl(dppe)2
"Top-view" of the structure of HFeCl(dppe)2

In the course of this conversion, high-spin complex FeCl2(dppe)2 converts to low-spin HFeCl(dppe)2.

The complex HFeCl[(dppe)2 exhibits a number of reactions associated with the remaining Fe-Cl bond. Reaction of the complex with sodium borohydride gives the dihydride complex:

HFeCl(dppe)2 + NaBH4 → H2Fe(dppe)2 + NaCl + "BH3"

Removal of chloride using sodium tetrafluorborate under and atmostphere of hydrogen or nitrogen gives the dinitrogen and dihydrogen complexes:

HFeCl(dppe)2 + NaBF4 + N2 → BF4 + NaCl
HFeCl(dppe)2 + NaBF4 + H2 → BF4 + NaCl

References

  1. Morris RH (2008). "Dihydrogen, Dihydride and in Between: Nmr and Structural Properties of Iron Group Complexes". Coord. Chem. Rev. 2252 (21–22): 2381–2394. doi:10.1016/j.ccr.2008.01.010.
  2. Lee, J.; Jung, G.; Lee, S. W. Structure of trans-chlorohydridobis(diphenylphosphinoethane)iron(II). Bull. Korean. Chem. 1998, 19, 267. ISSN 0253-2964
  3. Giannoccaro, P.; Sacco, A. (1977). "Bis[Ethylenebis(Diphenylphosphine)]-Hydridoiron Complexes". Inorganic Syntheses. Vol. 17. pp. 69–71. doi:10.1002/9780470132487.ch19. ISBN 9780470132487. {{cite book}}: |journal= ignored (help)
  4. Bautista MT, Bynum LD, Schauer CK (1996). "Synthesis of η-Dihydrogen Complex, trans-{Fe(η-H2)(H)2}: An Experiment for an Advanced Inorganic Chemistry Laboratory Involving Synthesis and NMR Properties of an η-H2 Complex". Journal of Chemical Education. 73 (10): 988–991. doi:10.1021/ed073p988.
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