FTIR Isotopic Study of the $\nu_1$($\sigma$) Stretching Mode of Linear CrC$_3$ Condensed in Solid Ar

POSTER

Abstract

Earlier gas phase investigations of chromium-carbon species using photoelectron spectroscopy (PES) and density functional theory (DFT) calculations have shown the existence of both the \textit{C}$_{2v}$ (fan-shaped) and linear isomers of CrC$_3 $.\footnote{H.~-J.~Zhai, L.~-S.~Wang, P.~Jena, G.~L.~ Gustev, and C.~W.~Bauschlicher, Jr., \textit{J. Chem. Phys.} \underline {\textbf{120}}, 8996 (2004).} We report the first results from Fourier transform infrared (FTIR) spectroscopic studies on CrC$_3 $, produced by Nd:YAG laser ablation of carbon and chromium rods and trapping the products in solid Ar at $\sim$10 K.\footnote {S.~A.~Bates, C.~M.~L.~Rittby, and W.~R.~M.~Graham, \textit{J. Chem. Phys.} \underline{\textbf{125}}, 074506 (2006).} Extensive $^{13}$C isotopic shift measurements and predictions from DFT calculations at the B3LYP/6-311G+(3\textit{df}) level show that linear CrC$_3$ is the ground state isomer and enables the assignment of its $\nu_1$($\sigma$) fundamental at 1789.5 cm$^{- 1}$.

Authors

  • Dana Dunn

    University of Texas at Arlington, Peoples Friendship University of the Russia, TSAAPT Officer, University of Texas at El Paso, Department of Chemistry, Stephen F. Austin University, Department of Physics, Stephen F. Austin University, Highland Park High School, Dallas, Texas, Lamar High School, Arlington, Texas, Angelo State University, Abilene Christian University, Southern Nazarene University, Texas Tech University, Sam Houston State University, University of Texas at Austin, Cornell University, University of Houston, University of Texas Center for Relativity, Ion Beam Modification and Analysis Laboratory (IBMAL), University of North Texas, University of North Texas, School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, NanoTech Institute, University of Texas at Dallas, Richardson, TX 75083, Department of Physics, The University of Texas at Arlington, Arlington, Texas 76019, Department of Physics, University of Texas at Arlington, Arlington, TX, 76019, UTA High Energy Physics Group, Univ. of Texas, Arlington, USA, KAERI Korea, Changwon National Univ., Korea, Rutgers University, Iowa State University, Rigaku/MSC, Texas Christian University, Dept. of Physics, Changwon National University, Department of Physics, University of North Texas, Department of Chemistry and Biochemistry, Arizona State University, Research Center, Philip Morris USA, Harrington Department Bioengineering Arizona State University, Universidad Autonoma de Colima, Universidad de Buenos Aires, Department of Physics, University of Texas, Arlington, Chair, Department of Physics, University of Texas at Arlington, Dean of Science, University of Texas at Arlington, President, University of Texas at Arlington, Department of Electrical Engineering, Princeton University, Department of Physics, Texas A\&M University, NanoFAB Center and Electrical Engineering Department, University of Texas at Arlington, University of Texas at San Antonio, SEMATECH, University of Texas at Dallas, CINVESTAV Queretaro, Mexico and University of Texas at Dallas, Texas A\&M University, Departamento de F\'isica, FCEN, Universidad de Buenos Aires, Freescale Semiconductor, Inc., Department of Physics, UT Austin, Physics Department, The University of Texas at Arlington, Department of Physics, University of Texas at Arlington, Tolar High School, Granbury High School

  • Dana Dunn

    University of Texas at Arlington, Peoples Friendship University of the Russia, TSAAPT Officer, University of Texas at El Paso, Department of Chemistry, Stephen F. Austin University, Department of Physics, Stephen F. Austin University, Highland Park High School, Dallas, Texas, Lamar High School, Arlington, Texas, Angelo State University, Abilene Christian University, Southern Nazarene University, Texas Tech University, Sam Houston State University, University of Texas at Austin, Cornell University, University of Houston, University of Texas Center for Relativity, Ion Beam Modification and Analysis Laboratory (IBMAL), University of North Texas, University of North Texas, School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, NanoTech Institute, University of Texas at Dallas, Richardson, TX 75083, Department of Physics, The University of Texas at Arlington, Arlington, Texas 76019, Department of Physics, University of Texas at Arlington, Arlington, TX, 76019, UTA High Energy Physics Group, Univ. of Texas, Arlington, USA, KAERI Korea, Changwon National Univ., Korea, Rutgers University, Iowa State University, Rigaku/MSC, Texas Christian University, Dept. of Physics, Changwon National University, Department of Physics, University of North Texas, Department of Chemistry and Biochemistry, Arizona State University, Research Center, Philip Morris USA, Harrington Department Bioengineering Arizona State University, Universidad Autonoma de Colima, Universidad de Buenos Aires, Department of Physics, University of Texas, Arlington, Chair, Department of Physics, University of Texas at Arlington, Dean of Science, University of Texas at Arlington, President, University of Texas at Arlington, Department of Electrical Engineering, Princeton University, Department of Physics, Texas A\&M University, NanoFAB Center and Electrical Engineering Department, University of Texas at Arlington, University of Texas at San Antonio, SEMATECH, University of Texas at Dallas, CINVESTAV Queretaro, Mexico and University of Texas at Dallas, Texas A\&M University, Departamento de F\'isica, FCEN, Universidad de Buenos Aires, Freescale Semiconductor, Inc., Department of Physics, UT Austin, Physics Department, The University of Texas at Arlington, Department of Physics, University of Texas at Arlington, Tolar High School, Granbury High School

  • Dana Dunn

    University of Texas at Arlington, Peoples Friendship University of the Russia, TSAAPT Officer, University of Texas at El Paso, Department of Chemistry, Stephen F. Austin University, Department of Physics, Stephen F. Austin University, Highland Park High School, Dallas, Texas, Lamar High School, Arlington, Texas, Angelo State University, Abilene Christian University, Southern Nazarene University, Texas Tech University, Sam Houston State University, University of Texas at Austin, Cornell University, University of Houston, University of Texas Center for Relativity, Ion Beam Modification and Analysis Laboratory (IBMAL), University of North Texas, University of North Texas, School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, NanoTech Institute, University of Texas at Dallas, Richardson, TX 75083, Department of Physics, The University of Texas at Arlington, Arlington, Texas 76019, Department of Physics, University of Texas at Arlington, Arlington, TX, 76019, UTA High Energy Physics Group, Univ. of Texas, Arlington, USA, KAERI Korea, Changwon National Univ., Korea, Rutgers University, Iowa State University, Rigaku/MSC, Texas Christian University, Dept. of Physics, Changwon National University, Department of Physics, University of North Texas, Department of Chemistry and Biochemistry, Arizona State University, Research Center, Philip Morris USA, Harrington Department Bioengineering Arizona State University, Universidad Autonoma de Colima, Universidad de Buenos Aires, Department of Physics, University of Texas, Arlington, Chair, Department of Physics, University of Texas at Arlington, Dean of Science, University of Texas at Arlington, President, University of Texas at Arlington, Department of Electrical Engineering, Princeton University, Department of Physics, Texas A\&M University, NanoFAB Center and Electrical Engineering Department, University of Texas at Arlington, University of Texas at San Antonio, SEMATECH, University of Texas at Dallas, CINVESTAV Queretaro, Mexico and University of Texas at Dallas, Texas A\&M University, Departamento de F\'isica, FCEN, Universidad de Buenos Aires, Freescale Semiconductor, Inc., Department of Physics, UT Austin, Physics Department, The University of Texas at Arlington, Department of Physics, University of Texas at Arlington, Tolar High School, Granbury High School