Institute for Lasers, Life, and Biophotonics, VU University Amsterdam, De Boelelaan 1081, NL 1081 HV Amsterdam, The Netherlands.
J Chem Phys. 2011 Aug 21;135(7):074201. doi: 10.1063/1.3626151.
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.
呈现了一项系统的氘标记实验，旨在明确确定 C(9)H(3) 和 C(11)H(3) 烃链的几何基态结构。腔衰荡光谱和构成 C/H、C/D 和 C/H/D 的特殊等离子体膨胀用于记录两种物质及其部分氘代等效物在 19000 cm(-1) 区域的光学跃迁。观察到的带的数量、同位素位移的定量测定以及支持性计算表明，观察到的 C(9)H(3) 和 C(11)H(3) 光谱源自 HC(4)(CH)C(4)H 和 HC(4)[C(C(2)H)]C(4)H 具有 C(2v)对称的物质。这一结果说明了氘标记作为一种有用的方法来表征非线性烃链的分子结构的潜力。
