Synthesis, molecular and electronic structures of a paramagnetic trimetallic cluster containing an unusual Mo3(l3-Se)2(l-Se)3 core
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Other documents of the author: Petrov, Pavel A.; Ryzhikov, Maxim R.; Virovets, Alexander V.; Konchenko, Sergey N.; Gómez García, Carlos J.; Llusar, Rosa
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http://dx.doi.org/10.1016/j.poly.2014.05.038 |
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Title
Synthesis, molecular and electronic structures of a paramagnetic trimetallic cluster containing an unusual Mo3(l3-Se)2(l-Se)3 coreAuthor (s)
Date
2014Publisher
ElsevierISSN
0277-5387Type
info:eu-repo/semantics/articlePublisher version
http://www.sciencedirect.com/science/article/pii/S0277538714003556Version
info:eu-repo/semantics/publishedVersionSubject
Abstract
The electron precise [Mo3(l3-Se)(l-Se)3(dppe)3Br3]
+ incomplete cuboidal complex, with six cluster
skeletal electrons (CSE), was converted into the paramagnetic bicapped [Mo3(l3-Se)2(l-Se)3(dppe)3]
+
cluster (1+
), ... [+]
The electron precise [Mo3(l3-Se)(l-Se)3(dppe)3Br3]
+ incomplete cuboidal complex, with six cluster
skeletal electrons (CSE), was converted into the paramagnetic bicapped [Mo3(l3-Se)2(l-Se)3(dppe)3]
+
cluster (1+
), with an unusual seven metal electron population, by treatment with elemental Ga. The
cluster core consists of an almost equilateral Mo3 triangle (Mo–Mo distances are in the range
2.7583(7)–2.7748(7) Å with an average value of 2.77(3) Å), capped by two selenide ligands. The remaining
selenium atoms bridge adjacent metal atoms, defining a virtually planar Mo3(l-Se)3 unit, with the
capping Se atoms positioned above and below this plane. The new complex possesses a doublet ground
state with the unpaired electron density delocalized over the three metal atoms. DFT calculations show
that the HOMO has ‘‘a1’’ symmetry, precluding any Jahn–Teller distortion on the cluster core and giving
support to EPR and structural observations. [-]
Is part of
Polyhedron 81 (2014) 6–10Rights
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