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Inorganic Supramolecular Host Architectures: [(M@18c6)2][Tli4]·2h2o, M = 0.5 Tl, (Nh4,Nh3), (H3o,H2o), Franziska Rieger, Anja V. Mudring
Inorganic Supramolecular Host Architectures: [(M@18c6)2][Tli4]·2h2o, M = 0.5 Tl, (Nh4,Nh3), (H3o,H2o), Franziska Rieger, Anja V. Mudring
Anja V. Mudring
The compounds [(M@18c6)2][TlI4]·2H2O, M = Tl, (NH4,NH3), (H3O,H2O) (cubic, Fd3̄; a = 1481.00 pm, for M = 0.5 Tl, a = 1304.65 pm for M = (NH4,NH3), a = 1313.67 pm for M = (H3O,H2O)) can be obtained from solution in the presence of traces of transition metal halides (like copper and mercury halides). Apparently the transition metal cations work as a template in the form of tetrahedral [MX4] units during the synthesis of the supramolecular host architecture. That the compounds are versatile host lattices for tetrahedrally coordinated transition metal units becomes obvious by the large group of known host−guest …
The Quadrupole Moment Of The 3/2+ Nuclear Ground State Of Au197 From Electric Field Gradient Relativistic Coupled Cluster And Density-Functional Theory Of Small Molecules And The Solid State, Peter Schwerdtfeger, Radovan Bast, Michael C.L. Gerry, Christoph R. Jacobs, Martin Jansen, Vladimir Kello, Anja V. Mudring, Andrzej J. Sadlej, Trond Saue, Tilo Sohnel, Friedrich E. Wagner
The Quadrupole Moment Of The 3/2+ Nuclear Ground State Of Au197 From Electric Field Gradient Relativistic Coupled Cluster And Density-Functional Theory Of Small Molecules And The Solid State, Peter Schwerdtfeger, Radovan Bast, Michael C.L. Gerry, Christoph R. Jacobs, Martin Jansen, Vladimir Kello, Anja V. Mudring, Andrzej J. Sadlej, Trond Saue, Tilo Sohnel, Friedrich E. Wagner
Anja V. Mudring
An attempt is made to improve the currently accepted muonic value for the Au197 nuclear quadrupole moment [+0.547(16)×10−28m2] for the 3/2+ nuclear ground state obtained by Powers et al. [Nucl. Phys.A230, 413 (1974)]. From both measured Mössbauer electric quadrupole splittings and solid-state density-functional calculations for a large number of gold compounds a nuclear quadrupole moment of +0.60×10−28m2 is obtained. Recent Fourier transform microwave measurements for gas-phase AuF, AuCl, AuBr, and AuI give accurate bond distances and nuclear quadrupole coupling constants for the Au197isotope. However, four-component relativistic density-functional calculations for these molecules yield unreliable results for the Au197 nuclear quadrupole moment. …
Rare-Earth Iodides In Ionic Liquids: The Crystal Structure Of [Set3]3[Lni6] (Ln = Nd, Sm), Anja V. Mudring, Arash Babai
Rare-Earth Iodides In Ionic Liquids: The Crystal Structure Of [Set3]3[Lni6] (Ln = Nd, Sm), Anja V. Mudring, Arash Babai
Anja V. Mudring
Crystals of [SEt3]3[LnI6] (Ln = Nd, Sm) were obtained by the reaction of LnI2 with the ionic liquid [SEt3][Tf2N] [Tf2N = bis(trifluoromethanesulfonyl)imide]. The compounds are characterized by octahedral [LnI6]3- units that are surrounded by a distorted cube of triethylsulfonium cations.
Lone Pair Effect In Thallium(I) Macrocyclic Compounds, Anja V. Mudring, Franziska Rieger
Lone Pair Effect In Thallium(I) Macrocyclic Compounds, Anja V. Mudring, Franziska Rieger
Anja V. Mudring
The role of the inert (lone) pair of electrons in thallium(I) salts is studied by comparison of the compounds [Tl@18-crown-6]+X- (X = TlI4, ClO4) and [K@18-crown-6]+ClO4-. In contrast to common introductory chemistry textbook opinions, the paradigm that s−p hybridization is a prerequisite for an inert electron pair to become stereochemically active in compounds of the heavier main group elements has to be revised. Instead, an inert pair of electrons is expected to become stereochemically involved whenever it is forced to participate in antibonding orbital interactions with its surroundings, and there is the possibility for a structural distortion that minimizes these …