Abstract
The pure rotational spectrum of benzanthrone an oxygenated polyaromatic hydrocarbon has been recorded and assigned in the region 7–61GHz. An initial analysis, guided by ab initio molecular orbital predictions, of frequency-scanned Stark modulated, jet-cooled millimeter wave absorption spectra (48–87GHz) yielded a preliminary set of molecular constants. Subsequent spectral analysis at higher resolution was carried out with Fourier Transform Microwave (FT-MW) spectroscopy (13–18GHz) of a supersonic rotationally cold molecular expansion. The high spectral resolution of the FT-MW instrument provided an improved set of molecular constants. Density Functional Theory (DFT) calculations at the B3LYP/6-311+G** level of theory closely predict the experimental rotational and centrifugal distortion constants.
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