University of Illinois Urbana-Champaign

Molecules in laboratory and in interstellar space?

Thimmakondu, Venkatesan S.

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https://hdl.handle.net/2142/91144

Description

Title
Molecules in laboratory and in interstellar space?
Author(s)
Thimmakondu, Venkatesan S.
Issue Date
2016-06-23
Keyword(s)
Astronomy
Abstract
  • \begin{wrapfigure}{r}{0.5\textwidth} \vspace{-32pt} \begin{center} \includegraphics[width=0.40\textwidth]{venky-ismsfig.eps} \end{center} \vspace{-32pt} \end{wrapfigure} In this talk, the quantum chemistry of astronomically relevant molecules will be outlined with an emphasis on the structures and energetics of C$_7$H$_2$ isomers, which are yet to be identified in space. Although more than 100's of isomers are possible for C$_7$H$_2$, to date only 6 isomers had been identified in the laboratory.\footnote{Apponi, A. P.
  • McCarthy, M. C.
  • Gottlieb, C. A.
  • Thaddeus, P. Laboratory Detection of Four New Cumulene Carbenes: H$_2$C$_7$, H$_2$C$_8$, H$_2$C$_9$, and D$_2$C$_{10}$, {\emph {Astrophys. J.}} 2000, 530, 357-361.}$^{,}$\footnote{ Ball, C. D
  • Thaddeus, P. Cavity Ringdown Spectroscopy of the Linear Carbon Chains HC$_7$H, HC$_9$H, HC$_{11}$H, and HC$_{13}$H. {\emph {J. Chem. Phys.}} 2000, 112, 10149-10155.}$^{,}$\footnote{Dua, S.
  • Blanksby, S. J.
  • Bowie, J. H. Formation of Neutral C$_7$H$_2$ Isomers from Four Isomeric C$_7$H$_2$ Radical Anion Precursors in the Gas Phase. {\emph {J. Phys. Chem. A}}, 2000, 104, 77-85.} The equilibrium geometries of heptatriynylidene ({\bf 1}), cyclohepta-1,2,3,4-tetraen-6-yne ({\bf 2}), and heptahexaenylidene ({\bf 3}), which we had investigated theoretically will be discussed briefly.\footnote{Thimmakondu, V. S. The equilibrium geometries of heptatriynylidene, cyclohepta-1,2,3,4-tetraen-6-yne, and heptahexaenylidene, {\emph {Comput. Theoret. Chem.}} 2016, 1079, 1-10.} While {\bf 1} and {\bf 3} are observed in the laboratory, {\bf 2} is a hypothetical molecule. The theoretical data may be useful for the laboratory detection of {\bf 2} and astronomical detection of {\bf 2} and {\bf 3}.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Language
En
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http://hdl.handle.net/2142/91144
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Copyright 2016 by the authors

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Abstracts & Presentations - 2016 International Symposium on Molecular Spectroscopy PRIMARY