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Title: Ligand Reorganization in the Coordination Sphere of a CCC-NHC Pincer Fe Complex and Transient Absorption Spectroscopic Characterization of [( Bu C i C i C Bu ) 2 Fe]I
Monoligated and bis-ligated CCC-NHC pincer Fe complexes with n-butyl substituents have been synthesized by the Zr metalation/transmetalation route. Both the direct metalation/transmetalation and transmetalation from the isolated (BuCiCiCBu)ZrNMe2Cl2, 3, yielded the octahedrally coordinated Fe(III) bis-ligated complex [(BuCiCiCBu)2Fe]Cl, 2a. Transmetalation from in situ and isolated (BuCiCiCBu)ZrCl3, 5, in the presence of excess TMSCl and 1 equiv of the Fe source yielded the monoligated (BuCiCiCBu)FeCl2, 4. Conditions that convert [(BuCiCiCBu)2Fe]+, 2, to (BuCiCiCBu)FeCl2, 4, complex have been found. Characterization included 1H NMR, UV−visible, femtosecond transient absorption spectroscopies, TDDFT computations, and mass spectroscopy along with X-ray crystallographic structure determinations.  more » « less
Award ID(s):
1539035 1827686 2102552
Author(s) / Creator(s):
; ; ; ; ; ; ; ;
Publisher / Repository:
American Chemical Society
Date Published:
Journal Name:
Page Range / eLocation ID:
273 to 283
Subject(s) / Keyword(s):
Ligands, Light absorption, Metals, Mixtures, Transmetalation
Medium: X
Sponsoring Org:
National Science Foundation
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