Internal Rotation of the Acetyl Methyl Group in Methyl Alkyl Ketones: The Microwave Spectrum of Octan-2-one

Methyl n-alkyl ketones form a class of molecules with interesting internal dynamics in the gas-phase. They contain two methyl groups undergoing internal rotations, the acetyl methyl group and the methyl group at the end of the alkyl chain. The torsional barrier of the acetyl methyl group is of special importance, since it allows for the discrimination of the conformational structures. As part of the series, the microwave spectrum of octan-2-one was recorded in the frequency range from 2 to 40 GHz, revealing two conformers, one with C₁ and one with C_s symmetry. The barriers to internal rotation of the acetyl methyl group were determined to be 233.340(28) cm⁻¹ and 185.3490(81) cm⁻¹, respectively, confirming the link between conformations and barrier heights already established for other methyl alkyl ketones. Extensive comparisons to molecules in the literature were carried out, and a small overview of general trends and rules concerning the acetyl methyl torsion is given. For the hexyl methyl group, the barrier height is 973.17(60) cm⁻¹ for the C₁ conformer and 979.62(69) cm⁻¹ for the C_s conformer.     

The phase shift method applied to cross grating moiré measurements

The automatic evaluation of the grating deformation in a moiré image is greatly enhanced by the phase shift method. Based on three or more local grey values of a related number of phase shifted moiré patterns, the local displacement of a deformed grating against a reference grating, and hence the total displacement in one direction, is calculated. In this paper an extension to cross gratings is presented yielding a two- dimensional displacement field.     

Current trends in finite-time thermodynamics

The cornerstone of finite-time thermodynamics is all about the price of haste and how to minimize it. Reversible processes may be ultimately efficient, but they are unrealistically slow. In all situations-chemical, mechanical, economical-we pay extra to get the job done quickly. Finite-time thermodynamics can be used to develop methods to limit that extra expenditure, be it in energy, entropy production, money, or something entirely different. Finite-time thermodynamics also includes methods to calculate the optimal path or mode of operation to achieve this minimal expenditure. The concept is to place the system of interest in contact with a time-varying environment which will coax the system along the desired path, much like guiding a horse along by waving a carrot in front of it.     

Stimulated Raman scattering microscopy by spectral focusing and fiber-generated soliton as Stokes pulse

We demonstrate stimulated Raman microscopy with broadband pump and Stokes pulses, using spectral focusing to attain spectral resolution and to rapidly acquire spectra within a spectral window determined by the bandwidth of the pulses. As the Stokes pulse, we use the redshifted soliton generated in a photonic crystal fiber, which allows for simple shifting of the accessible spectral window.     

Sensing the Molecular Structures of Hexan-2-one by Internal Rotation and Microwave Spectroscopy

Using two molecular jet Fourier transform spectrometers, the microwave spectrum of hexan-2-one, also called methyl n-butyl ketone, was recorded in the frequency range from 2 to 40 GHz. Three conformers were assigned and fine splittings caused by the internal rotations of the two terminal methyl groups were analyzed. For the acetyl methyl group CH₃ COC₃H₆CH₃, the torsional barrier is 186.9198(50) cm⁻¹, 233.5913(97) cm⁻¹, and 182.2481(25) cm⁻¹ for the three observed conformers, respectively. The value of this parameter could be linked to the structure of the individual conformer, which enabled us to create a rule for predicting the barrier height of the acetyl methyl torsion in ketones. The very small splittings arising from the internal rotation of the butyl methyl group CH₃COC₃H₆ CH₃ could be resolved as well, yielding the respective torsional barriers of 979.99(88) cm⁻¹, 1016.30(77) cm⁻¹, and 961.9(32) cm⁻¹.     

On the magnetic properties of transition metal substituted MnAs

The properties of Mn_1?tT_t As phases (T: V, Cr, Fe or Co; 0<t$\text{\$}\text{?}$= 0.10) are studied in external magnetic fields up to 250 kOe, and temperatures between 80 and 400 K. The results are presented and discussed in terms of phase diagrams comprising concentration, temperature, and magnetic field axes.     

Nitrogen quadrupole coupling in ethylisocyanate (CH3CH2NCO)

We measured and analyses the nitrogen hyperfine structure in the rotational spectrum of ethylisocyanate by MWFT-spectroscopy.