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Electronic and structural effects of stepwise borylation and quaternization on borirene aromaticity
Published in
2013
PMID: 23305227
Volume: 135
   
Issue: 5
Pages: 1903 - 1911
Abstract
Room-temperature photolysis of the aminoboryl complex [(OC) 5Cr-B-N(SiMe3)2] in the presence of a series of mono- or bis(boryl) alkynes bis{bis(dimethylamino)boryl}ethyne, 1-phenyl-2-bis(dimethylamino)borylethyne, and 1-trimethylsilyl-2- bis(dimethylamino)borylethyne led to the isolation of hitherto unknown borylborirenes in resonable yields, that is, [(RC-CR′)(μ-BN(SiMe 3)2)] (7, R = B(NMe2)2, R′ = Ph; 8, R = R′ = B(NMe2)2; 9, R = B(NMe 2)2, R′ = SiMe3). The borirenes were isolated and spectroscopically characterized by multinuclear NMR, IR, and UV/vis spectroscopy, crystallography, and elemental analysis. Reactivity studies of the borirenes demonstrated their behavior toward different Lewis bases. The isolated adducts and the parent borirenes were compared to 1,3-mesityl-2- phenylborirene and its adducts. To gain insight into the electronic structure and to evaluate the influence of the exocyclic groups, Density Functional Theory (DFT) calculations were carried out. © 2013 American Chemical Society.
About the journal
JournalJournal of the American Chemical Society
ISSN00027863
Open AccessNo
Concepts (36)
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    Aromaticities
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    BORIRENES
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    Borylation
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    Density functional theory calculations
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    EXOCYCLIC GROUPS
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    GAIN INSIGHT
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    LEWIS BASIS
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    Multinuclear nmr
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    QUATERNIZATION
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    Room temperature
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    STRUCTURAL EFFECT
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    UV/ VIS SPECTROSCOPY
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    Acetylene
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    Crystallography
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    Density functional theory
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    Electronic structure
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    Photolysis
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    Ultraviolet visible spectroscopy
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    Chromium compounds
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    Alkyne
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    BORIRENE
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    Lewis base
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    Unclassified drug
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    Aromaticity
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    Article
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    Chemical phenomena
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    Chemical reaction
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    Chemical structure
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    Infrared spectroscopy
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    Molecular electronics
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    Nuclear magnetic resonance spectroscopy
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    QUATERNIZATION
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    Ultraviolet spectroscopy
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    Boron compounds
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    Electrons
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    Molecular structure