Henry S. La Pierre
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View article: Single-Determinant Ground State in Ce <sup>4+</sup> Imidophosphorane Complexes
Single-Determinant Ground State in Ce <sup>4+</sup> Imidophosphorane Complexes Open
X-ray spectroscopy techniques are critical in the electronic structure analysis of high-valent lanthanides. The interpretation of multipeaked features at the lanthanide L3-edge has remained a challenging question, as it is observed across …
View article: Bis(<i>tert</i>-butoxydiphenylsilyl)amide Divalent Lanthanide Complexes
Bis(<i>tert</i>-butoxydiphenylsilyl)amide Divalent Lanthanide Complexes Open
The development of new ligand systems to stabilize "non-traditional/non-classical" divalent lanthanides is key to tuning the chemical and physical properties of their mixed principal quantum number 4fn5d1 ground states. The design and stud…
View article: Redox Tuning of Metals with High Coordination Numbers: Quantifying Systematic Charge Density Effects of Co-encapsulated Cations
Redox Tuning of Metals with High Coordination Numbers: Quantifying Systematic Charge Density Effects of Co-encapsulated Cations Open
Heavy element cations with large ionic radii naturally tend to adopt high coordination numbers (C.N. ≥ 8), endowing them with unique chemical and physical properties. Rational control of the redox chemistry or electronic properties of such…
View article: Is a Homologous Series Member Equal to or Greater than the Sum of Its Subunits? A Focus on Fe-Based BaNiSn<sub>3</sub> Subunits: LnFeGe<sub>3</sub> (Ln = La, Pr)
Is a Homologous Series Member Equal to or Greater than the Sum of Its Subunits? A Focus on Fe-Based BaNiSn<sub>3</sub> Subunits: LnFeGe<sub>3</sub> (Ln = La, Pr) Open
The homologous series Lnn+1MnGe3n+1 (Ln = Ce, Pr, M = Fe, Co) has proven to be a fruitful platform for tuning physical properties as a function of subunit stacking. In this study, we investigate the crystal growth, structure, and physical …
View article: U<sup>4+/5+/6+</sup> in a Conserved Pseudotetrahedral Imidophosphorane Coordination Sphere
U<sup>4+/5+/6+</sup> in a Conserved Pseudotetrahedral Imidophosphorane Coordination Sphere Open
While several ligand systems support uranium across a range of oxidation states, spanning more than two oxidation states in a conserved coordination geometry is uncommon among structurally authenticated complexes. Imidophosphorane ligands …
View article: Pre-synthetic redox control of structure and properties in copper TTFtt coordination polymers
Pre-synthetic redox control of structure and properties in copper TTFtt coordination polymers Open
Conductive coordination polymers (CPs) with sulfur-based ligands offer strong metal–ligand interactions and redox tunability, making them promising candidates for electronic applications.
View article: Frustrated Magnetism and Spin Anisotropy in a Buckled Square Net YbTaO<sub>4</sub>
Frustrated Magnetism and Spin Anisotropy in a Buckled Square Net YbTaO<sub>4</sub> Open
The interplay between quantum effects from magnetic frustration, low-dimensionality, spin-orbit coupling, and crystal electric field in rare-earth materials leads to nontrivial ground states with unusual magnetic excitations. Here, we inve…
View article: Redox Tuning of Metals with High Coordination Numbers: Quantifying Systematic Charge Density Effects of Co-encapsulated Cations
Redox Tuning of Metals with High Coordination Numbers: Quantifying Systematic Charge Density Effects of Co-encapsulated Cations Open
Heavy element cations with large ionic radii naturally tend to adopt high coordination numbers (C.N. ≥ 8), endowing them with unique chemical and physical properties. Rational control of the redox chemistry or electronic properties of such…
View article: Proton-Coupled Electron Transfer at the Pu<sup>5+/4+</sup> Couple
Proton-Coupled Electron Transfer at the Pu<sup>5+/4+</sup> Couple Open
The synthesis and solution and solid-state characterization of [Pu4+(NPC)4], 1-Pu, (NPC = [NPtBu(pyrr)2]-; tBu = C(CH3)3; pyrr = pyrrolidinyl) and [Pu3+(NPC)4][K(2.2.2.-cryptand)], 2-Pu, is described. Cyclic voltammetry studies of 1-Pu rev…
View article: A Four‐Coordinate Pr<sup>4+</sup> Imidophosphorane Complex
A Four‐Coordinate Pr<sup>4+</sup> Imidophosphorane Complex Open
The imidophosphorane ligand, [NP t Bu 3 ] − ( t Bu= tert ‐butyl), enables isolation of a pseudo‐tetrahedral, tetravalent praseodymium complex, [Pr 4+ (NP t Bu 3 ) 4 ] ( 1‐Pr ), which is characterized by a suite of physical characterization…
View article: A Four‐Coordinate Pr<sup>4+</sup> Imidophosphorane Complex
A Four‐Coordinate Pr<sup>4+</sup> Imidophosphorane Complex Open
The imidophosphorane ligand, [NP t Bu 3 ] − ( t Bu= tert ‐butyl), enables isolation of a pseudo‐tetrahedral, tetravalent praseodymium complex, [Pr 4+ (NP t Bu 3 ) 4 ] ( 1‐Pr ), which is characterized by a suite of physical characterization…
View article: Tetravalent Cerium Alkyl and Benzyl Complexes
Tetravalent Cerium Alkyl and Benzyl Complexes Open
High-valent cerium complexes of alkyl and benzyl ligands are unprecedented due to the incompatibility of the typically highly oxidizing Ce4+ ion and the reducing alkyl or benzyl ligand. Herein we report the synthesis and isolation of the f…
View article: Coordination Modes and Binding Patterns in Lanthanum Phosphoramide Complexes
Coordination Modes and Binding Patterns in Lanthanum Phosphoramide Complexes Open
A monoanionic phosphoramide ligand is introduced, which forms a series of lanthanum complexes with the ligand in both anionic and neutral forms. Stoichiometric control alone provides monometallic complexes with either two or three phosphor…
View article: Intervalence Charge Transfer in Nonbonding, Mixed-Valence, Homobimetallic Ytterbium Complexes
Intervalence Charge Transfer in Nonbonding, Mixed-Valence, Homobimetallic Ytterbium Complexes Open
There are several reports of compounds containing lanthanide ions in two different formal oxidation states; however, there are strikingly few examples of intervalence charge transfer (IVCT) transitions observed for these complexes, with th…
View article: A Tetrahedral Neptunium(V) Complex
A Tetrahedral Neptunium(V) Complex Open
Neptunium is an actinide element sourced from anthropogenic production, and unlike naturally abundant uranium, its coordination chemistry is not well-developed in all accessible oxidation states. High-valent neptunium generally requires st…
View article: CCDC 2248374: Experimental Crystal Structure Determination
CCDC 2248374: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2248375: Experimental Crystal Structure Determination
CCDC 2248375: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2248373: Experimental Crystal Structure Determination
CCDC 2248373: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2248368: Experimental Crystal Structure Determination
CCDC 2248368: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2248365: Experimental Crystal Structure Determination
CCDC 2248365: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Increased Crystal Field Drives Intermediate Coupling and Minimizes Decoherence in Tetravalent Praseodymium Qubits
Increased Crystal Field Drives Intermediate Coupling and Minimizes Decoherence in Tetravalent Praseodymium Qubits Open
Crystal field (CF) control of rare-earth (RE) ions has been employed to minimize decoherence in qubits and to enhance the effective barrier of single-molecule magnets. The CF approach has been focused on the effects of symmetry on dynamic …
View article: CCDC 2246291: Experimental Crystal Structure Determination
CCDC 2246291: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2246290: Experimental Crystal Structure Determination
CCDC 2246290: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2246294: Experimental Crystal Structure Determination
CCDC 2246294: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2246292: Experimental Crystal Structure Determination
CCDC 2246292: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2246293: Experimental Crystal Structure Determination
CCDC 2246293: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Chemical design of electronic and magnetic energy scales of tetravalent praseodymium materials
Chemical design of electronic and magnetic energy scales of tetravalent praseodymium materials Open
Lanthanides in the trivalent oxidation state are typically described using an ionic picture that leads to localized magnetic moments. The hierarchical energy scales associated with trivalent lanthanides produce desirable properties for e.g…
View article: Raw output data for "Chemical design of electronic and magnetic energy scales of tetravalent praseodymium materials", DOI: 10.1038/s41467-023-38431-7
Raw output data for "Chemical design of electronic and magnetic energy scales of tetravalent praseodymium materials", DOI: 10.1038/s41467-023-38431-7 Open
This repository contains output data from the first-principles calculations reported in the following article: Authors: Arun Ramanathan, Jensen Kaplan, Dumitru-Claudiu Sergentu, Jacob A. Branson, Mykhaylo Ozerov, Alexander I. Kolesnikov, S…
View article: Raw output data for "Chemical design of electronic and magnetic energy scales of tetravalent praseodymium materials", DOI: 10.1038/s41467-023-38431-7
Raw output data for "Chemical design of electronic and magnetic energy scales of tetravalent praseodymium materials", DOI: 10.1038/s41467-023-38431-7 Open
This repository contains output data from the first-principles calculations reported in the following article: Authors: Arun Ramanathan, Jensen Kaplan, Dumitru-Claudiu Sergentu, Jacob A. Branson, Mykhaylo Ozerov, Alexander I. Kolesnikov, S…
View article: Divergent Stabilities of Tetravalent Cerium, Uranium, and Neptunium Imidophosphorane Complexes
Divergent Stabilities of Tetravalent Cerium, Uranium, and Neptunium Imidophosphorane Complexes Open
The study of the redox chemistry of mid-actinides (U – Pu) has historically relied on cerium as a model, due to the accessibility of trivalent and tetravalent oxidation states for these ions. Recently, dramatic shifts of lanthanide 4+/3+ n…