Other
Scientific paper
Jun 2011
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confefc10f&link_type=abstract
"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec
Other
Infrared/Raman
Scientific paper
%High resolution spectra have been analyzed for the tilde{A}2E-tilde{X}2A_1 transition of M-12C12CH, M-12C12CD and M-13C13CH, where M refers to Mg, Ca and Sr. All the molecules except CaCCH have been recorded and analyzed in our laboratory in a laser ablation molecular jet source. The rotational constants extracted from the fits allowed us to calculate accurate bond lengths in MgCCH, CaCCH and SrCCH. This study is of particular interest since it shows how the structure of the molecules evolves as we substitute the alkaline earth atom by another one from the same family. The results showed clear trends in how the molecules account for changes in the mass of the metal atom and how the bond lengths in the ligand CCH are significantly different from the bond lengths in HCCH. Surprisingly, the triple bond between the two carbon atoms happens to be the one that experiences the greatest change. To determine the three bond lengths in a linear four atom molecule, one requires spectral data from three isotopologues of that molecule. By combining information from previously published analyses with new high resolution isotopically substituted spectra, we have determined the bond lengths for MgCCH, CaCCH and SrCCH. In each case, the tilde{A}2Π-tilde{X}2Σ^+ spectra of the M-12C12CH, M-12C12CD and M-13C13CH isotopologues were considered, where M refers to Mg, Ca and Sr. This study is of particular interest since it shows how the structure of this family of molecules evolves as we change the alkaline earth atom attached to the CCH ligand. In MgCCH, the structure of the CCH ligand is nearly the same as it is in acetylene, HCCH. Surprisingly, the bonding in the ligand is quite different from that of acetylene for the two heavier acetylide molecules, with the triple bond between the two carbon atoms experiencing the greatest change.
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Adam A. G.
Forthomme D.
Linton Chris
Tokaryk D. W.
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