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Title: Electronic Structures, Spectroscopy, and Electrochemistry of [M(diimine)(CN-BR 3 ) 4 ] 2– (M = Fe, Ru; R = Ph, C 6 F 5 ) Complexes
Award ID(s):
1763429
NSF-PAR ID:
10233778
Author(s) / Creator(s):
; ; ; ; ; ;
Date Published:
Journal Name:
Inorganic Chemistry
Volume:
59
Issue:
14
ISSN:
0020-1669
Page Range / eLocation ID:
9594 to 9604
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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  1. Abstract

    Organofunctionalized tetranuclear clusters [(MIICl)2(VIVO)2{((HOCH2CH2)(H)N(CH2CH2O))(HN(CH2CH2O)2)}2] (1, M=Co,2: M=Zn) containing an unprecedented oxometallacyclic {M2V2Cl2N4O8} (M=Co, Zn) framework have been prepared by solvothermal reactions. The new oxo‐alkoxide compounds were fully characterized by spectroscopic methods, magnetic susceptibility measurement, DFT and ab initio computational methods, and complete single‐crystal X‐ray diffraction structure analysis. The isostructural clusters are formed of edge‐sharing octahedral {VO5N} and trigonal bipyramidal {MO3NCl} units. Diethanolamine ligates the bimetallic lacunary double cubane core of1and2in an unusual two‐mode fashion, unobserved previously. In the crystalline state, the clusters of1and2are joined by hydrogen bonds to form a three‐dimensional network structure. Magnetic susceptibility data indicate weakly antiferromagnetic interactions between the vanadium centers [Jiso(VIV−VIV)=−5.4(1); −3.9(2) cm−1], and inequivalent antiferromagnetic interactions between the cobalt and vanadium centers [Jiso(VIV−CoII)=−12.6 and −7.5 cm−1] contained in1.

     
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