showing 2 related works from this author
New Nuclear Magnetic Moment of Bi209 : Resolving the Bismuth Hyperfine Puzzle
2018
A recent measurement of the hyperfine splitting in the ground state of Li-like ${^{208}\mathrm{Bi}}^{80+}$ has established a ``hyperfine puzzle''---the experimental result exhibits a $7\ensuremath{\sigma}$ deviation from the theoretical prediction [J. Ullmann et al., Nat. Commun. 8, 15484 (2017); J. P. Karr, Nat. Phys. 13, 533 (2017)]. We provide evidence that the discrepancy is caused by an inaccurate value of the tabulated nuclear magnetic moment (${\ensuremath{\mu}}_{I}$) of $^{209}\mathrm{Bi}$. We perform relativistic density functional theory and relativistic coupled cluster calculations of the shielding constant that should be used to extract the value of ${\ensuremath{\mu}}_{I}(^{209…
[Be(ND 3 ) 4 ]Cl 2 : Synthesis, Characterisation and Space‐Group Determination Guided by Solid‐State Quantum Chemical Calculations
2013
Treatment of BeCl2 with dry liquid ND3 and subsequent removal of the solvent leads to the colourless microcrystalline powder of [Be(ND3)4]Cl2. It crystallises in the orthorhombic space group Pna21 with a = 9.395(4), b = 11.901(6), c = 6.761(3) A, V = 755.9(6) and Z = 4 at 27 °C, and a = 9.3736(8), b = 11.8162(12), c = 6.6596(6) A, V = 737.62(12) and Z = 4 at –269.6 °C. The structure contains the tetrahedral tetraammineberyllium(II) cation which follows the octet rule. It was shown to be stable under ambient conditions and temperatures up to approximately 175 °C. We additionally discuss the aid of solid-state quantum chemical calculations for the assignment of proper crystallographic space g…