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Anion Photoelectron Spectroscopy and Density Functional Investigation of Diniobium−Carbon Clusters

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K. L. Knappenberger, Jr.†^#, P. A. Clayborne§, J. U. Reveles§, M. A. Sobhy†, C. E. Jones, Jr.†, U. U. Gupta†, S. N. Khanna§, I. Iordanov‡, J. Sofo‡ and A. W. Castleman, Jr.†‡*

^† Departments of Chemistry and

^‡ Physics, The Pennsylvania State University, University Park, Pennsylvania 16802

^§ Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284-2000

ACS Nano, 2007, 1 (4), pp 319–326

DOI: 10.1021/nn700167c

Publication Date (Web): November 10, 2007

* Address correspondence to awc@psu.edu., #

Current address: University of California, Berkeley, and Lawrence Berkeley National Laboratory

Section:

General Physical Chemistry

Abstract

Experimental photoelectron and computational results show diniobium−carbon (Nb₂C_n) clusters to coexist in multiple structural isomers: three-dimensional geometries, planar rings, and linear chains. Three-dimensional clusters having up to five carbons are formed preferentially with Nb−Nb bonding, whereas only Nb−C bonding is observed experimentally at six carbons. Clusters consisting of an odd number of atoms are also observed with linear geometries. The larger binary clusters (n ≥ 7) display properties similar to those of pure carbon clusters. We provide evidence for niobium substitution of carbon atoms.

Keywords:

cluster-assembled materials; transition-metal clusters; anion photoelectron spectroscopy; cluster structure; carbon clusters

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This article has been cited by 3 ACS Journal articles (3 most recent appear below).

Strong-Field Ionization and Dissociation Studies on Small Early Transition Metal Carbide Clusters via Time-of-Flight Mass Spectrometry
Daniel E. Blumling, Scott G. Sayres, and A. W. Castleman, Jr.
The Journal of Physical Chemistry A2011 Article ASAP
- Strong-Field Ionization and Dissociation Studies on Small Early Transition Metal Carbide Clusters via Time-of-Flight Mass Spectrometry
  Daniel E. Blumling, Scott G. Sayres, and A. W. Castleman, Jr.
  The Journal of Physical Chemistry A2011 Article ASAP
  In this work, we report experimental results from the strong-field ionization and subsequent Coulomb explosion of narrow distributions of small (<40 atoms) heteronuclear clusters composed of transition metal (Ti, V, Cr, Nb, or Ta) and carbon atoms. ...
  Abstract | Full Text HTML | Hi-Res PDF | PDF w/ Links
Structural Evolution of Triniobium Carbide Clusters: Evidence of Large C_n Chains (n = 3−4) in Nb₃C_n⁻ (n = 5−10) Clusters
Peneé A. Clayborne, Charles E. Jones, Jr., Ujjwal Gupta, Joshua J. Melko, Shiv N. Khanna and A. W. Castleman, Jr.
The Journal of Physical Chemistry A2010 114 (3), 1290-1297
- Structural Evolution of Triniobium Carbide Clusters: Evidence of Large C_n Chains (n = 3−4) in Nb₃C_n⁻ (n = 5−10) Clusters
  Peneé A. Clayborne, Charles E. Jones, Jr., Ujjwal Gupta, Joshua J. Melko, Shiv N. Khanna and A. W. Castleman, Jr.
  The Journal of Physical Chemistry A2010 114 (3), 1290-1297
  First-principle density functional calculations and photoelectron spectroscopy experiments show that triniobium carbide clusters exist in multiple motifs. The Nb3Cn− (n = 5−10) series have isomers surrounding a triangular Nb3 base while incorporating Nb−C ...
  Abstract | Full Text HTML | Hi-Res PDF | PDF w/ Links
Silver−Carbon Cluster AgC₃: Structure and Infrared Frequencies
Yun Wang, Jan Szczepanski and Martin Vala
The Journal of Physical Chemistry A2008 112 (44), 11088-11092
- Silver−Carbon Cluster AgC₃: Structure and Infrared Frequencies
  Yun Wang, Jan Szczepanski and Martin Vala
  The Journal of Physical Chemistry A2008 112 (44), 11088-11092
  Silver−carbon clusters were formed by dual Nd:YAG laser vaporization, trapped in a solid Ar matrix at 12 K, and investigated by infrared spectroscopy. Two new infrared absorption bands were observed at 1827.8 and 1231.6 cm−1. Isotopic (13C) substitution ...
  Abstract | Full Text HTML | Hi-Res PDF | PDF w/ Links

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History

Published In Issue November 30, 2007
Article ASAPNovember 10, 2007
Received: August 14, 2007
Accepted: October 23, 2007

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Anion Photoelectron Spectroscopy and Density Functional Investigation of Diniobium−Carbon Clusters