Patrick W. Smith

ORCID: 0000-0001-5575-4895
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Research Areas
  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Organometallic Complex Synthesis and Catalysis
  • Crystallography and molecular interactions
  • Lanthanide and Transition Metal Complexes
  • Organoboron and organosilicon chemistry
  • Radioactive element chemistry and processing
  • Coordination Chemistry and Organometallics
  • Fish Ecology and Management Studies
  • Microencapsulation and Drying Processes
  • Synthesis and characterization of novel inorganic/organometallic compounds
  • Marine and fisheries research
  • Magnetism in coordination complexes
  • Proteins in Food Systems
  • Synthesis and Properties of Aromatic Compounds
  • Advanced Chemical Physics Studies
  • Inorganic Chemistry and Materials
  • Adenosine and Purinergic Signaling
  • Corneal surgery and disorders
  • Intraocular Surgery and Lenses
  • Neonatal and Maternal Infections
  • Nuclear Physics and Applications
  • X-ray Spectroscopy and Fluorescence Analysis
  • Food Chemistry and Fat Analysis
  • Asymmetric Hydrogenation and Catalysis

Lawrence Berkeley National Laboratory
2023-2025

United States Army Corps of Engineers
2022

University of California, Berkeley
2015-2021

University of Manchester
2002-2020

Manchester Academic Health Science Centre
2020

Berkeley College
2020

University of California System
2020

Massachusetts Institute of Technology
2020

University of New Orleans
2014-2015

University of California, San Diego
2012

An isostructural series of four annulated actinocene complexes, M(hdcCOT) 2 (M = Th, U, Np, Pu), are reported.

10.1039/d4cc06094f article EN Chemical Communications 2025-01-01

In September 1984, an outbreak of Escherichia coli O157:H7 infection occurred in a nursing home. It wasthe first recognized this organism the United States since 1982, when two outbreaks led to its recognition as pathogen. Thirty-four 101 residents developed diarrheal illness; 14 were hospitalized with severe illness characterized by crampy abdominal pain, marked distention, and grossly bloody diarrhea, four died. The spectrum associated was broad included following: asymptomatic infection,...

10.1093/infdis/154.4.631 article EN The Journal of Infectious Diseases 1986-10-01

Anterior chamber intraocular lenses (IOLs) provided good visual rehabilitation of aphakia in a majority patients. An increasing number eyes with closed-loop, semiflexible anterior implants are now being seen decreased vision due to corneal edema and persistent cystoid macular edema. We evaluated 53 such 52 patients who presented one 51 months (average, 15 months) after lens implantation. The most frequent implanted was the Surgidev Style 10 Leiske IOL. Surgery for IOL removal or exchange...

10.1001/archopht.1987.01060010058031 article EN Archives of Ophthalmology 1987-01-01

A divergent synthetic strategy allowed access to several members of a new class helicenes, the "expanded helicenes", which are composed alternating linearly and angularly fused rings. The is based on three-fold, partially intermolecular [2+2+n] (n = 1 or 2) cycloaddition with substrates containing three diyne units. Investigation aggregation behavior, both in solution solid state, revealed that one these compounds forms an unusual homochiral, π-stacked dimer via equilibrium slow NMR time...

10.1021/jacs.7b10902 article EN Journal of the American Chemical Society 2017-12-07

Molecular qubits offer an attractive basis for quantum information processing, but challenges remain with regard to sustained coherence. Qubits based on clock transitions a method improve the coherence times. We propose general strategy identifying molecules high-frequency in systems where d electron is coupled crystal-field singlet state of f configuration, resulting MJ = ±1/2 ground strong hyperfine coupling. Using this approach, 9.834 GHz transition was identified molecular Pr complex,...

10.1021/jacs.3c12725 article EN cc-by Journal of the American Chemical Society 2024-02-22

Complexes featuring lanthanide–ligand multiple bonds are rare and highly reactive. They important synthetic targets to understand 4f/5d-bonding in comparison d-block actinide congeners. Herein, the isolation characterization of a bridging cerium(IV)-nitride complex: [(TriNOx)Ce(Li2μ-N)Ce(TriNOx)][BArF4] is reported, first example molecular cerium-nitride. The compound was isolated by deprotonating monometallic cerium(IV)-ammonia [CeIV(NH3)(TriNOx)][BArF4]. average Ce═N bond length 2.117(3)...

10.1021/jacs.2c12145 article EN Journal of the American Chemical Society 2023-01-05

The actinide elements are attractive alternatives to transition metals or lanthanides for the design of exchange-coupled multinuclear single-molecule magnets. However, synthesis such compounds is challenging, as unraveling any contributions from exchange coupling overall magnetism. To date, only a few have been shown exhibit and Here, we report triangular uranium(III) clusters type (Cp

10.1021/jacs.3c11678 article EN cc-by-nc-nd Journal of the American Chemical Society 2024-07-24

Switchable selectivity achieved by altering reaction conditions within the same photocatalytic system offers great advantages for sustainable chemical transformations and renewable energy conversion. In this study, we investigate an efficient methanol dehydrogenation with controlled varying concentration of nickel cocatalyst, using zinc indium sulfide nanocrystals as a semiconductor photocatalyst, which enables production either formaldehyde or ethylene glycol high selectivity. Control...

10.1021/jacs.4c14413 article EN Journal of the American Chemical Society 2025-01-13

Understanding the chemistry of inert actinide oxo bond in actinyl ions AnO22+ is important for controlling behavior environment, during separations, and nuclear waste (An = U, Np, Pu). The thioether calixarene TC4A (4‐tert‐butyltetrathiacalix[4]arene) binds equatorially to [AnO2]n+ Np) forming a conical pocket that differentiates two trans‐oxo groups. ‘ate’ complexes, [A]2[UO2(TC4A)] (A [Li(DME)2], HNEt3) [HNEt3]2[NpO2(TC4A)], enable selective chemistry. Silylation UVI groups by...

10.1002/anie.202422974 article EN Angewandte Chemie International Edition 2025-01-21

Understanding the chemistry of inert actinide oxo bond in actinyl ions AnO22+ is important for controlling behavior environment, during separations, and nuclear waste (An = U, Np, Pu). The thioether calixarene TC4A (4‐tert‐butyltetrathiacalix[4]arene) binds equatorially to [AnO2]n+ Np) forming a conical pocket that differentiates two trans‐oxo groups. ‘ate’ complexes, [A]2[UO2(TC4A)] (A [Li(DME)2], HNEt3) [HNEt3]2[NpO2(TC4A)], enable selective chemistry. Silylation UVI groups by...

10.1002/ange.202422974 article EN Angewandte Chemie 2025-01-21

A series of solvated complexes: [(C8H8)Ln(C5Me4R)(DME)] Ln = La, R −Me; (La-2) Ce, −Me, −SiMe3, −H; (Ce-2, Ce-3, Ce-4), [(dbCOT)Ln(C5Me5)(DME)] (Ln-6), (dbCOT2– dibenzocyclooctadienide; La), [(dbCOT)Ce(C5Me4H)(DME)] (Ce-7) and [(hdcCOT)Ce(C5Me5)(DME)] (Ce-8) (hdcCOT2– hexahydrodicyclopentacyclooctatetraenide) base-free mixed-sandwich complexes [(C8H8)Ce(C5Me5)] (Ce-9), [(C8H8)Ce(C5Me4H) (Ce-10) [(hdcCOT)Ce(C5Me5)] (Ce-11) the early lanthanide metals cerium lanthanum comprising variable...

10.1021/acs.inorgchem.4c04840 article EN Inorganic Chemistry 2025-02-12

Pyrazine (pyz) has been used extensively in coordination chemistry to manifest electron delocalization mixed-valent compounds and its recent use strongly coupled materials. In the current work, using a YbII precursor: [(C5H4Me)2YbII(THF)2] (1), molecular square [(C5H4Me)2YbIII(pyz•–)]4·½(C7H5F3) (2) was synthesized by metal-ligand redox cooperativity. Complex 2 shows evidence of charge transfer from pyrazine range studies including structural analysis, magnetometry, vibrational spectroscopy,...

10.26434/chemrxiv-2025-h56dr preprint EN cc-by-nc-nd 2025-03-28

Recent studies of lanthanide bonding have shown that small amounts metal--ligand covalency can impact bond energies and cause magnetic behavior to deviate from the free ion values. Quantifying covalent parameters is necessary support rational design these properties for applications in energy information science. Here, two measurements f-electron occupancy CeBr6(2-) are reported based on X-ray spectra at Ce L3- Br K-edges compared corresponding results CeF6(2-) CeCl6(2-). These values allow...

10.26434/chemrxiv-2025-3rn19 preprint EN cc-by-nc-nd 2025-04-01

Vacancy ordered double perovskites Cs2Te(IV)X6 have been found to exhibit molecule-like electronic behavior when X is Cl– or Br– due the zero-dimensional (0D) nature of their octahedral units. Electronically isolated building blocks, [TeBr6]2– ionic octahedron, serve as fundamental unit Cs2TeBr6 solid. Herein, a detailed understanding structure and its photoexcitation presented with consideration individual molecular orbitals from these blocks. Two optical absorption features correspond two...

10.1021/acsphotonics.3c00042 article EN ACS Photonics 2023-02-27

The 4f orbitals of Ce(IV) have shown appreciably enhanced covalent mixing with ligand relative to those Ce(III). Here, X-ray spectroscopy, magnetic susceptibility measurements, and theoretical methods are used investigate covalency in CeF

10.1021/jacs.4c07459 article EN cc-by-nc-nd Journal of the American Chemical Society 2024-09-06

ABSTRACT Spray‐dried encapsulated milk fat powders were prepared from stable emulsions containing 40‐60% and carbohydrate matrices. Moisture content of the spray‐dried varied 1‐4%. Lowest free (<10%) was found in with 40% fat, sucrose. Angles repose ranged 37 to 46°, correlated powder flow (p = 0.01). Bulk density dependent on encapsulant declined increasing content. Product did not influence recovery through cyclone dryer. Particle size distribution 20 120 μm 80% particles < 100 μm....

10.1111/j.1365-2621.1994.tb06957.x article EN Journal of Food Science 1994-03-01

The metallostannylene Cp*(iPr2MeP)(H)2Fe-SnDMP (1; Cp* = η5-C5Me5; DMP 2,6-dimesitylphenyl), formed by hydrogen migration in a putative Cp*(iPr2MeP)HFe[Sn(H)DMP] intermediate, serves as robust platform for exploration of transition-metal main-group element bonding and reactivity. Upon one-electron oxidation, 1 expels H2 to generate the coordinatively unsaturated [Cp*(iPr2MeP)Fe═SnDMP][B(C6F5)4] (3), which possesses highly polarized Fe–Sn multiple bond that involves interaction tin lone pair...

10.1021/jacs.1c10144 article EN Journal of the American Chemical Society 2021-12-27

Two new base-free hydrosilylene complexes of iron were synthesized using the novel starting material Cp*(iPr2MeP)FeMes. These Cp*(iPr2MeP)Fe(H)SiHR (R = DMP, Trip) are in equilibrium with corresponding silyl complexes, Cp*(iPr2MeP)FeSiH2R, which can be trapped and characterized for R Trip. Unlike Ru analogues, Fe silylene complex DMP is observed to undergo an intramolecular C—H activation involving formal addition a benzylic bond across Fe—Si bond. This increased activity activations also...

10.1021/jacs.8b01185 article EN Journal of the American Chemical Society 2018-03-12

Electron-rich organocerium complexes (C5Me4H)3Ce and [(C5Me5)2Ce(ortho-oxa)], with redox potentials E1/2 = −0.82 V −0.86 versus Fc/Fc+, respectively, were reacted fullerene (C60) in different stoichiometries to obtain molecular materials. Structurally characterized cocrystals: [(C5Me4H)3Ce]2·C60 (1) [(C5Me5)2Ce(ortho-oxa)]3·C60 (2) of C60 cerium-based, rare earth precursors are reported for the first time. The extent charge transfer 1 2 was evaluated using a series physical measurements:...

10.1021/acsami.3c18766 article EN ACS Applied Materials & Interfaces 2024-03-27

Divalent complexes of vanadium were synthesized employing bulky silyl(aryl)amido ligands −N(SiiPr3)DIPP and −N(SitBu2Me)DIPP (DIPP = 2,6-iPr2C6H3). Solid-state structural characterization revealed that although the ligand supports a monomeric, bis(amido) complex vanadium, its constitutional isomer affords homoleptic in which center is sandwiched between arene rings, an unusual binding mode for arylamido ligands. Magnetometry studies indicate V[N(SiiPr3)DIPP]2 V[(η5-DIPP)N(SitBu2Me)]2 have...

10.1021/acs.organomet.9b00134 article EN Organometallics 2019-03-14

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10.1063/1.1744569 article EN The Journal of Chemical Physics 1958-09-01

Cationic iron complexes [Cp*(iPr2MeP)FeH2SiHR]+, generated and characterized in solution, are very efficient catalysts for the hydrosilation of terminal alkenes internal alkynes by primary silanes at low catalyst loading (0.1 mol%) ambient temperature. These reactions yield only corresponding secondary silane product, even with SiH4 as substrate. Mechanistic experiments DFT calculations indicate that high rate is associated an inherently barrier dissociative exchange (product release).

10.1039/d0sc01749c article EN cc-by-nc Chemical Science 2020-01-01

The [BP3iPr]Co(I) synthon Na(THF)6{[BP3iPr]CoI} (1, [BP3iPr] = κ3-PhB(CH2PiPr2)3–) reacts with PhSiH3 or SiH4 to form unusual {[BP2iPr](SiH2R)CoH2}═Si═{H2Co[BP3iPr]} species (R Ph, 2a; R H, 2b; [BP2iPr] κ2-PhB(CH2PiPr2)2) that result from activation of all Si—H and Si—C bonds in the starting silanes. Solution-spectroscopic data (multinuclear NMR, IR) for 2a,b, solid-state structure 2a, indicate substantial Co═Si═Co multiple bonding minimal interaction core Si atom nearby hydride ligands. In...

10.1021/jacs.9b04265 article EN Journal of the American Chemical Society 2019-05-22
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