Add time:08/14/2019         Source:sciencedirect.com

The microwave spectrum of methyl isobutyl ketone was recorded using a molecular beam Fourier transform microwave spectrometer and analyzed to determine the rotational constants A = 4.7517(17) GHz, B = 1.496 115(79) GHz, C = 1.324 364(39) GHz, and centrifugal distortion constants. A–E splittings from 250 MHz up to 1 GHz were observed due to internal rotation of the acetyl methyl group with a potential barrier of 250.3(19) cm−1. 59 A and 57 E species lines were fitted to experimental accuracy. The experimental rotational constants were compared with results from quantum chemical calculations to validate the molecular structure.

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