Microwave spectra of mono-13C substituted acetone, (CH3)2CO

Effective rotational Hamiltonian for molecules with internal rotors: Principles, theory, applications and experiences

“…The ethers studied by Grubbs and Cooke [43] have no symmetry plane at equilibrium (which is evident from the data in the supplementary material but not from the data reported in the paper itself). ERHAM has also been used [44] to re-analyze the microwave and millimeter wave data reported for symmetric acetone-d 1 and -d 5 [45]. For the molecules mentioned in this paragraph, the standard deviations in the least-squares fits reached generally about experimental precision for the vibrational ground states (with some variations).…”

The Millimeter‐ and Submillimeter‐Wave Spectrum of13C1‐Methyl Formate (H13COOCH3) in the Ground State

“…Known by the acronym ERHAM, the procedure was developed for a molecule with one or two internal rotors by Groner and collaborators (Groner 1992(Groner , 1997Groner et al 1998), and has been successfully applied to a number of molecules in their ground and excited torsional states, such as dimethyl ether (Groner et al 1998), 3-methyl-1,2-butadiene (Bell et al 2000), acetone (Groner et al 2002, ethyl methyl ether (Fuchs et al 2003), dimethyl diselenide (Groner et al 2004), and acetone-13 C (Lovas & Groner 2006 (Groner et al 2007), which is the NH 2 analog of methyl formate.…”

A direct digital synthesis chirped pulse Fourier transform microwave spectrometer

“…26 After 22 h of averaging at a 2.1 kHz repetition rate (170 million averages) the signal-to-noise of the strongest peak was ∼18 000:1. The dual sideband convolved (LO = 11 900 MHz) predicted spectrum of the normal species of acetone 27,28 and the two 13 C substituted species 29 (scaled to 1% intensity) at 2 K are also plotted in Figure 5, with negative intensity. At this sensitivity, the singly substituted 13 C isotopomer of acetone is clearly visible in natural abundance at 160:1, as shown in the inset of Figure 5.…”