Results 241 to 250 of about 45,903 (284)
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Dynamical behavior of boron clusters
Nanoscale, 2016Several of the lowest energy structures of small and medium sized boron clusters are two-dimensional systems made up of a pair of concentric rings. In some cases, the barriers to the rotation of one of those rings relative to the other are remarkably low.
Said, Jalife +8 more
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Nematicidal activity of naphthalimide–boron cluster conjugates
Chemical Communications, 2022The present work demonstrated the hitherto unknown biological activity of metallacarboranes.
Anna Bogucka-Kocka +7 more
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Boron clusters in luminescent materials
Chemical Communications, 2016Recent advancements in luminescent materials containing polyhedral boron clusters are summarised in this review article.
Mukherjee, Sanjoy, Thilagar, Pakkirisamy
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Journal of the American Chemical Society, 1976
Abstract : The novel compounds (eta-C5H5)3C03B3H5 (I), (eta-C5H5)3C053B4H4 (II), and (eta-C5h5)4C04B4H4 (III) have been isolated as air-stable crystalline solids from the reaction of Na(+)B5H8(-) with CoCl1 and NaC5H5 below 20 degrees, and characterized from mass spectra and NMR spectra.
Vernon R. Miller, Russell N. Grimes
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Abstract : The novel compounds (eta-C5H5)3C03B3H5 (I), (eta-C5H5)3C053B4H4 (II), and (eta-C5h5)4C04B4H4 (III) have been isolated as air-stable crystalline solids from the reaction of Na(+)B5H8(-) with CoCl1 and NaC5H5 below 20 degrees, and characterized from mass spectra and NMR spectra.
Vernon R. Miller, Russell N. Grimes
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Configurations and characteristics of boron and B36 clusters
Journal of Molecular Modeling, 2017Characteristics of the ring and linear structures of the boron cluster B36 and its doped clusters were investigated with DFT/B3LYP/6-31G. The results illustrate that the ring B3 structure is the most stable configuration compared with other rings. Odd and even linear structures have different bonding; there is one different bond in the center of even ...
Shuhong, Xu +4 more
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The σ delocalization in planar boron clusters
Dalton Transactions, 2009The sigma delocalization plays an important role in the stability of small boron clusters; therefore, it is important to establish under which circumstances this delocalization contributes to the aromaticity of these molecules. In this work, using electron localization function (ELF) calculations, we show that sigma and pi electrons follow different ...
Luis, Rincon +5 more
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Elongation of Planar Boron Clusters by Hydrogenation: Boron Analogues of Polyenes
Journal of the American Chemical Society, 2012Dihydrogenated boron clusters, H(2)B(n)(-) (n = 7-12), were produced and characterized using photoelectron spectroscopy and computational chemistry to have ladderlike structures terminated by a hydrogen atom on each end. The two rows of boron atoms in the dihydrides are bonded by delocalized three-, four-, or five-center σ and π bonds.
Wei-Li, Li +3 more
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Boron‐Cluster Embedded Necklace‐Shaped Nanohoops
Angewandte Chemie International Edition, 2022AbstractThe combination of carbon‐based nanohoops with other functional organic molecular structures should lead to the design of new molecular configurations with interesting properties. Here, necklace‐like nanohoops embedded with carborane were synthesized for the first time.
Miao Zhu +7 more
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Photoinitiation with boron clusters
Science, 2016Polymer Chemistry Nonmetallic photoinitiators of polymerization are gaining interest for biomedical and electronics applications in which metal compounds are toxic or their presence reduces performance. Messina et al. report on boron clusters [B12(OR)12, where R is a phenyl or pentafluorophenyl group] that act as photoinitiators with blue light for the
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Atomistic Study of Boron Clustering in Silicon
Solid State Phenomena, 2001We present the results of our theoretical investigation on the energetics of boron-interstitial clusters in silicon. In particular, we discuss the results obtained within a Density Functional derived Tight Binding (DFTB) scheme and further analyzed by Density Functional Theory calculations performed in the Local Density Approximation (DFT-LDA). We show
ALIPPI P. +2 more
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