Structural rearrangement in gas phase niobium carbide clusters, NbnC3 and NbnC6
作者： Ken Miyajima , Mushtaq Ahmed Sobhan , Robert A. Hardy , Gregory F. Metha , Fumitaka Mafuné
DOI: 10.1016/J.CPLETT.2015.06.031
关键词:
摘要: Abstract Niobium carbide clusters were formed in the gas phase by mixing vapors of niobium and carbon. When a carbon trimer, C 3 , was richly vapor, with compositions Nb n k + ( = 2–10, = 0–4) abundantly observed after photoionization at 215 nm, enabling presumption that unit could be building block clusters. Contrary to this presumption, efficiency spectra 215–286 nm suggest should assigned atomically mixed carbide. Structural rearrangement into form is consistent results DFT calculations.
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sci-hub.se 参考文章(37)
H. T. Deng, B. C. Guo, K. P. Kerns, A. W. Castleman, Gas Phase Reactions of the Met-Cars Ti8C12+, Nb8C12+, and Ti7NbC12+ with Acetone and Methyl Iodide The Journal of Physical Chemistry. ,vol. 98, pp. 13373- 13378 ,(1994) , 10.1021/J100101A042
Matthew A. Addicoat, Gregory F. Metha, Excited states of Nb3N2 and Nb3C2: Density functional theory, CASSCF, and MRCI studies Journal of Chemical Physics. ,vol. 130, pp. 164308- 164308 ,(2009) , 10.1063/1.3122542
Chang Hyun Bae, Seung Min Park, A time-of-flight quadrupole mass spectrometric study of Cn+(n=1–24) ions produced by laser ablation of a graphite target Journal of Chemical Physics. ,vol. 117, pp. 5347- 5353 ,(2002) , 10.1063/1.1500356
H.R Leider, O.H Krikorian, D.A Young, Thermodynamic properties of carbon up to the critical point Carbon. ,vol. 11, pp. 555- 563 ,(1973) , 10.1016/0008-6223(73)90316-3
Hugh Harris, Ian Dance, The Geometric and Electronic Structures of Niobium Carbon Clusters Journal of Physical Chemistry A. ,vol. 105, pp. 3340- 3358 ,(2001) , 10.1021/JP0035535
S. Wei, B. C. Guo, H. T. Deng, K. Kerns, J. Purnell, S. A. Buzza, A. W. Castleman, Formation of Met-Cars and Face-Centered Cubic Structures: Thermodynamically or Kinetically Controlled? Journal of the American Chemical Society. ,vol. 116, pp. 4475- 4476 ,(1994) , 10.1021/JA00089A046
M. E. Geusic, M. F. Jarrold, T. J. McIlrath, R. R. Freeman, W. L. Brown, Photodissociation of carbon cluster cations Journal of Chemical Physics. ,vol. 86, pp. 3862- 3869 ,(1987) , 10.1063/1.451946
Tomonari Wakabayashi, Takamasa Momose, Tadamasa Shida, Mass spectroscopic studies of laser ablated carbon clusters as studied by photoionization with 10.5 eV photons under high vacuum Journal of Chemical Physics. ,vol. 111, pp. 6260- 6263 ,(1999) , 10.1063/1.479931
Ken Miyajima, Naoya Fukushima, Fumitaka Mafuné, Reactivity of niobium-carbon cluster ions with hydrogen molecules in relation to formation mechanism of Met-Car cluster ions. Journal of Physical Chemistry A. ,vol. 112, pp. 5774- 5776 ,(2008) , 10.1021/JP803247H
Lai-Sheng Wang, San Li, Hongbin Wu, Photoelectron Spectroscopy and Electronic Structure of Met-Car Ti8C12 The Journal of Physical Chemistry. ,vol. 100, pp. 19211- 19214 ,(1996) , 10.1021/JP9630683