Abstract
A systematic deuterium labeling experiment is presented that aims at an unambiguous determination of the geometrical ground state structure of the C(9)H(3) and C(11)H(3) hydrocarbon chains. Cavity ring-down spectroscopy and special plasma expansions constituting C/H, C/D, and C/H/D are used to record optical transitions of both species and their (partially) deuterated equivalents in the 19,000 cm(-1) region. The number of observed bands, the quantitative determination of isotopic shifts, and supporting calculations show that the observed C(9)H(3) and C(11)H(3) spectra originate from HC(4)(CH)C(4)H and HC(4)[C(C(2)H)]C(4)H species with C(2v) symmetry. This result illustrates the potential of deuterium labeling as a useful approach to characterize the molecular structure of nonlinear hydrocarbon chains.
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