Experimental and computational evidence of octa- and nona-coordinated planar iron-doped boron clusters: Fe©B8− and Fe©B9−

Romanescu, Constantin; Galeev, Timur R.; Sergeeva, Alina P.; Li, Weili; Wang, Lai-Sheng; Boldyrev, Alexander I.

doi:10.1016/j.jorganchem.2012.07.050

Cited by 98 publications

(73 citation statements)

References 61 publications

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“…Besides, it should be noted that the structure of the low-lying isomer 9b obtained in this work is the ground-state geometry of the RuB À 9 , CoB À 9 , RhB À 9 , and IrB À 9 clusters reported in Refs. [27,30,32,34]. This may be caused by the differences of the properties between the Al and the atoms of Ru, Co, Rh, and Ir.…”

Section: Geometries and Growth Pattern Behaviorsmentioning

confidence: 99%

Probing the structural and electronic properties of boron cluster anions doped with one or two aluminum atoms

Wang

Chen

et al. 2014

Computational and Theoretical Chemistry

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Section: Geometries and Growth Pattern Behaviorsmentioning

confidence: 99%

Probing the structural and electronic properties of boron cluster anions doped with one or two aluminum atoms

Wang

Chen

et al. 2014

Computational and Theoretical Chemistry

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“…Due to the high melting point of boron (> 2000°C), B-containing clusters are usually generated by laser ablation (see, e.g., [31,32]). An exhaustive review of laser ablation sources has recently been provided by Duncan [33].…”

Section: Introductionmentioning

confidence: 99%

Characterization of neutral boron-silicon clusters using infrared spectroscopy: The case of Si6B

Trường

Haertelt

Jaeger

et al. 2016

International Journal of Mass Spectrometry

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Nano-size clusters are of great interest for understanding of fundamental properties and processes relevant for applied materials science such as heterogeneous catalysis. In this study, we present a newly developed dualtarget dual-laser ablation source, suitable for the production of binary clusters and their spectroscopic characterization. With the current design, an almost arbitrary mixing ratio can be achieved by altering different parameters such as the laser fluences. Boron and silicon targets are chosen for cluster production, illustrating the possibility to control the outcome ranging from pure boron over mixed SinBm to pure silicon clusters. As a test system, Si6B clusters are characterized by means of infrared-ultraviolet two-color ionization (IR-UV2CI) spectroscopy, combined with quantum chemical simulations. The most stable structure of Si6B (Cs, 2 A') predicted in our previous work is confirmed by the present experiment. Doping of Si7 with a single B atom has a drastic impact on the geometric, vibrational, and electronic properties.

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“…38,[46][47][48][49][50][51][52] In recent joint experimental and theoretical works, we discovered a series of transition metal-centered boron wheels. [53][54][55][56] In particular, we have shown 55 that Ta in Ta c B 10 − and Nb in Nb c B 10 − have the highest coordination number for an atom in two-dimensional environment. 57 All of these wheel-type clusters belong to a new class of aromatic borometallic compounds and may be viable for condensed phase synthesis.…”

Section: Introductionmentioning

confidence: 83%

Photoelectron spectroscopy and ab initio study of boron-carbon mixed clusters: CB9− and C2B8−

Galeev

Romanescu

et al. 2012

The Journal of Chemical Physics

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We performed a joint photoelectron spectroscopy and ab initio study of two carbon-doped boron clusters, CB(9)(-) and C(2)B(8)(-). Unbiased computational searches revealed similar global minimum structures for both clusters. The comparison of the experimentally observed and theoretically calculated vertical detachment energies revealed that only the global minimum structure is responsible for the experimental spectra of CB(9)(-), whereas the two lowest-lying isomers of C(2)B(8)(-) contribute to the experimental spectra. The planar "distorted wheel" type structures with a single inner boron atom found for CB(9)(-) and C(2)B(8)(-) are different from the quasi-planar structure of B(10)(-), which consists of two inner atoms and eight peripheral boron atoms. The adaptive natural density partitioning chemical bonding analysis revealed that CB(9)(-) and C(2)B(8) clusters exhibit π aromaticity and σ antiaromaticity, which is consistent with their planar distorted structures.

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Experimental and computational evidence of octa- and nona-coordinated planar iron-doped boron clusters: Fe©B8− and Fe©B9−

Cited by 98 publications

References 61 publications

Probing the structural and electronic properties of boron cluster anions doped with one or two aluminum atoms

Probing the structural and electronic properties of boron cluster anions doped with one or two aluminum atoms

Characterization of neutral boron-silicon clusters using infrared spectroscopy: The case of Si6B

Photoelectron spectroscopy and ab initio study of boron-carbon mixed clusters: CB9− and C2B8−

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