1. Characterization of berkelium(III) dipicolinate and borate compounds in solution and the solid state
by Mark A. Silver, Samantha K. Cary, Jason A. Johnson, Ryan E. Baumbach, Alexandra A. Arico, Morgan Luckey, Matthew Urban, Jamie C. Wang, Matthew J. Polinski, Alexander Chemey, Guokui Liu, Kuan-Wen Chen, Shelley M. Van Cleve, Matthew L. Marsh, Teresa M. Eaton, Lambertus J. van de Burgt, Ashley L. Gray, David E. Hobart, Kenneth Hanson, Laurent Maron, Frédéric Gendron, Jochen Autschbach, Manfred Speldrich, Paul Kögerler, Ping Yang, Jenifer Braley, and Thomas E. Albrecht-Schmitt
Science
Volume 353(6302):aaf3762
August 26, 2016
Published by AAAS

2. Crystal structure of a berkelium coordination compound.
Crystal structure of a berkelium coordination compound. The central Bk(III) ion is coordinated by three monoprotonated dipicolinate ligands in tridentate O,N,O fashion. Bk, yellow; C, gray; N, blue; O, red; H, white.
Mark A. Silver et al. Science 2016;353:aaf3762
Published by AAAS

3. Fig. 1 Crystallography.
Crystallography. (A) Views of the Λ (lower left) and Δ (upper right) enantiomers of Bk(HDPA)3, showing the tricapped trigonal prismatic N3O6 coordination around Bk(III). (B) Depiction of the distorted square antiprismatic geometry of Bk(III) in Bk[B6O8(OH)5].
Mark A. Silver et al. Science 2016;353:aaf3762
Published by AAAS

4. Fig. 2 Optical spectra of Bk(HDPA)3·nH2O obtained from a single crystal.
Optical spectra of Bk(HDPA)3·nH2O obtained from a single crystal. (A) Room-temperature absorption. (B) Photoluminescence spectrum upon excitation at 420 nm (at 110 K) and excitation spectra monitored at 670 nm. (C) Predicted energy levels of 5f8 and 5f76d states of Bk(III) in DPA and assignment of the 680-nm photoluminescence.
Mark A. Silver et al. Science 2016;353:aaf3762
Published by AAAS

5. Fig. 3 Magnetic properties.
Magnetic properties. Magnetic moment μeff versus T and inverse susceptibility versus T (inset) of polycrystalline samples of (A) Bk(HDPA)3·nH2O and (B) Bk[B6O8(OH)5] at 1 kOe. Open circles, experimental data; solid black lines, least-squares fits to full model Hamiltonian. The energy-level diagrams display the splitting of the lowest multiplet states and their composition. The dashed black line represents the single-ion contribution of the Bk(III) centers in Bk[B6O8(OH)5] in the absence of (antiferromagnetic) coupling interactions.
Mark A. Silver et al. Science 2016;353:aaf3762
Published by AAAS

6. Fig. 4 Illustrations of some of the molecular orbitals involved in bonding in Bk(HDPA)3.
Illustrations of some of the molecular orbitals involved in bonding in Bk(HDPA)3. These orbitals are singly occupied molecular orbital (SOMO)–11 (left) and SOMO-12 (right). The involvement of the 5fz3 orbital in SOMO-11 should be noted.
Mark A. Silver et al. Science 2016;353:aaf3762
Published by AAAS

7. Fig. 5 Calculated magnetic susceptibility χ(T) for the Δ′ structure.
Calculated magnetic susceptibility χ(T) for the Δ′ structure. CASSCF-SO calculations. Orbital () and spin () magnetization isosurfaces and g factors for the ground-state doublet, calculated using the method described in (36) from the septet states only. Doublet components with along the easy magnetic axis.
Mark A. Silver et al. Science 2016;353:aaf3762
Published by AAAS