Institute of Chemistry, University of Graz, Heinrichstrasse 28, 8010 Graz, Austria.
Published: October 2014
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Article Abstract
Scalar coupling constants and signal splitting patterns in NMR spectra contain a wealth of short-range structural information. The extraction of these parameters from (1)H NMR spectra is often prohibited by simultaneous scalar coupling interactions with several other protons. Here we present a high-resolution NMR experiment where scalar coupling to only one selected signal is visible. All other couplings are removed from the spectrum. This real-time selectively refocused NMR experiment is achieved by spatially selective homonuclear broadband decoupling combined with selective refocusing during acquisition. It allows the unperturbed extraction of scalar coupling constants from the highly resolved acquisition dimension of NMR spectra.
In this work, the molecular enhancement factors of the P,T-odd interactions involving the electron electric dipole moment (Wd) and the scalar-pseudoscalar nucleon-electron couplings (Ws) are computed for the ground state of the bimetallic molecules YbCu, YbAg, and YbAu. These systems offer a promising avenue for creating cold molecules by associating laser-cooled atoms. The relativistic coupled-cluster approach is used in the calculations, and a thorough uncertainty analysis is performed to give accurate and reliable uncertainties to the obtained values.
The Tolman-Ehrenfest criterion for the thermal equilibrium of a fluid at rest in a static general-relativistic geometry is generalized to scalar-tensor gravity. Surprisingly, the gravitational scalar field, which fixes the strength of the effective gravitational coupling, does not play a role in determining thermal equilibrium. As a result, heat does not sink more in a gravitational field where gravity is stronger.
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