4.8 Article

Spectroscopic identification of C2P and C2As, two new main group dicarbides

Journal

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 129, Issue 31, Pages 9600-+

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/ja0738475

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The first spectroscopic evidence for the existence of the CCP and CCAs free radicals has been obtained from laser-induced fluorescence and wavelength-resolved emission spectra acquired in supersonic discharge jet experiments. The observed vibrational frequencies, C-13 isotope effects, spin-orbit splittings, and rotational band contours have been used to positively identify the radicals. The measured ground state vibrational frequencies are in accord with our density functional molecular orbital theory predictions. The CCP species, which has a large calculated dipole moment, is a possible interstellar molecule that may be detectable by radioastronomy.

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