Optical and magnetic properties of boron fullerenes

文献信息

发布日期 2009-04-09
DOI 10.1039/B902278C
影响因子 3.676
作者

Nektarios N. Lathiotakis


查看原文

摘要

We report linear response properties of the recently proposed boron fullerenes [N. Gonzalez Szwacki et al., Phys. Rev. Lett., 2007, 98, 166804]: magnetic susceptibilities, static dipole polarizabilities and dynamical polarizabilities (i.e. optical and near ultraviolet absorption spectra), calculated from first principles within the (time-dependent) density-functional theory framework. We find that all clusters except B80 are diamagnetic. The strong cancellation between diamagnetic and paramagnetic currents in B80 leads to a very small value for its susceptibility that turns out to be slightly paramagnetic. Static polarizabilities increase linearly with the number of B atoms. Furthermore, the absorption spectrum of B80 is very different from the one of its carbon counterpart C60, exhibiting a low absorption threshold of about 1.5 eV and many peaks in the visible and near ultraviolet. This can be understood by the analysis of the wavefunctions involved in the low energy transitions.

相关文献

Magnetic nanochains of metal formed by assembly of small nanoparticles

Chen-Min Liu, Rong-Ming Wang, Yuan Deng, Hui-Bin Xu, Shihe Yang

2004-10-14 Communication

DOI: 10.1039/B411311J

Discovery of two high-energy N2O2 isomers

Giulia de Petris, Fulvio Cacace, Anna Troiani

2004-01-08 Communication

DOI: 10.1039/B312628E

New supramolecular polymers containing both terpyridine metal complexes and quadruple hydrogen bonding units

Harald Hofmeier, Albertus P. H. J. Schenning, Ulrich S. Schubert

2004-01-07 Communication

DOI: 10.1039/B314459N

Reactivation of aged model Pd/Ce0.68Zr0.32O2 three-way catalyst by high temperature oxidising treatment

N. Hickey, P. Fornasiero, R. Di Monte, J. Kašpar, J. R. González-Velasco, M. A. Gutiérrez-Ortiz, M. P. González-Marcos, J. M. Gatica, S. Bernal

2003-11-25 Communication

DOI: 10.1039/B308321G

Novel formation and use of a Nicholas carbocation in the synthesis of highly substituted tetrahydrofurans

Steven D. R. Christie, Ryan J. Davoile, Mark R. J. Elsegood, Ross Fryatt, Raymond C. F. Jones, Gareth J. Pritchard

2004-09-17 Communication

DOI: 10.1039/B411367E

Intramolecular charge separation in a hydrogen bonded tyrosine–ruthenium(ii)–naphthalene diimide triad

Olof Johansson, Henriette Wolpher, Magnus Borgström, Leif Hammarström, Jonas Bergquist, Licheng Sun, Björn Åkermark

2003-11-19 Communication

DOI: 10.1039/B308101J

From group 13–group 13 donor–acceptor bonds to triple-decker cations

2004-10-13 Feature Article

DOI: 10.1039/B409497M

Oxygenation of thiolates to S-bonded sulfinate in an iron(iii) complex related to nitrile hydratase

Erwan Galardon, Michel Giorgi, Isabelle Artaud

2003-12-16 Communication

DOI: 10.1039/B312318A

您可能还喜欢

化合物问答

4-((4-甲基哌嗪-1-基)甲基)苯硼酸(CAS号:763120-62-3)的市场或研究趋势如何?

随着有机硼化学的发展,该化合物在催化、药物合成、材料科学等领域展现出潜在的应用价值。近年来,其在药物前体合成中的应用越来越受到关注。市场趋势显示,随着科研投入的...

763120-62-3{4-[(4-Methyl-1-pipe...
化合物问答

如何储存2,4,5-三甲基-1-硝基苯(CAS号:610-91-3)?

2,4,5-三甲基-1-硝基苯应储存在阴凉、干燥且通风良好的地方,避免阳光直射。储存在密封的金属容器中,远离火源和热源。储存温度应控制在25°C以下,湿度不宜过...

610-91-31,2,4-Trimethyl-5-ni...
化合物问答

处理2,5-二碘噻吩(CAS号:625-88-7)时应注意哪些实验室安全事项?

在处理2,5-二碘噻吩时,应穿戴适当的个人防护装备(PPE),包括实验室外套、手套和防护眼镜。在通风橱中进行操作以避免吸入蒸气。如果发生泄漏,应立即疏散人员并使...

625-88-72,5-Diiodothiophene
化合物问答

在合成中是否有6-bromo-3-chloro-1H-indole(CAS号:57916-08-2)的替代品?

在合成6-溴-3-氯-1H-吲哚(CAS号:57916-08-2)时,可以考虑使用一些类似的化合物作为替代品,如6-氯-3-氯-1H-吲哚或3-氯-1H-吲哚,...

57916-08-26-bromo-3-chloro-1H-...
化合物问答

在合成中是否有(R)-(-)-1-(1-萘基)乙基异氰酸酯(CAS号:42340-98-7)的替代品?

可以考虑使用类似结构的化合物,如1-[(1R)-1-(2-氨基乙基)萘-1-基]乙基异氰酸酯作为替代品。此外,还可以寻找其他类型的异氰酸酯衍生物,如苯基异氰酸酯...

42340-98-71-[(1R)-1-Isocyanato...
化合物问答

3-氨基苯甲酰苯胺(CAS号:14315-16-3)适用哪些法规指南?

3-氨基苯甲酰苯胺适用于多项法规指南,包括但不限于GHS(全球化学品统一分类和标签制度)分类为皮肤腐蚀/刺激类别2,以及潜在的皮肤过敏性类别1。在欧盟地区,它受...

14315-16-33-Amino-N-phenylbenz...
化合物问答

β-环柠檬醛-D5(CAS号:26309-95-5)通常如何合成?

β-环柠檬醛-D5可通过不对称合成方法获得。常见的合成路线包括以环己酮为原料,经过选择性氧化、还原、保护基引入等步骤,最终得到目标化合物。该合成过程中通常使用多...

26309-95-5[(2,2-Dimethylpropan...
化合物问答

如何储存布尼洛尔(CAS号:34915-68-9)?

布尼洛尔应存放在阴凉干燥处,避免阳光直射和高温。建议储存温度在15-30摄氏度之间,远离儿童触及范围。

34915-68-9Bunitrolol
化合物问答

如何处理含有BIO-1211(CAS号:187735-94-0)的废料?

对于含有BIO-1211(CAS号:187735-94-0)的废料,首先应进行分类收集,确保符合环保要求。然后,可以考虑通过焚烧或其他专业处理方法进行处置。在处...

187735-94-0BIO-1211
化合物问答

如何处理含有4-氯-2-氟-3-甲基苯酚(CAS号:1351668-24-0)的废料?

含有该化合物的废液应收集至专用容器中,避免与其他化学品混合。可采用焚烧或送交专业废弃物处理公司处理。处理过程中需遵守当地环保法规,确保不产生二次污染。处理前应进...

1351668-24-04-Chloro-2-fluoro-3-...

来源期刊

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
自引率: 10.3%
年发文量: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

推荐供应商

免责声明
本页面提供的学术期刊信息仅供参考和研究使用。我们与任何期刊出版商均无关联,也不处理投稿事宜。如有投稿相关咨询,请直接联系相关期刊出版商。
如发现页面信息有误,请发送邮件至 support@chemtradehub.com 联系我们。我们将及时核实并处理您的问题。