About

Filipp Ulrich Furche is a faculty member at the University of California, Irvine, within the Department of Chemistry. His research interests focus on Physical Chemistry and Chemical Physics, with an emphasis on Theoretical and Computational approaches. As a professor, he contributes to advancing understanding in these scientific areas through his academic and research activities at UC Irvine.

Research topics

• Computer Science
• Physics
• Quantum mechanics
• Political Science
• Programming language
• Molecular physics
• Computational science
• Data science
• Chemistry
• Atomic physics
• World Wide Web
• Condensed matter physics

Selected publications

• CCDC 2386532: Experimental Crystal Structure Determination

  The Cambridge Structural Database · 2026-01-28

  datasetOpen access

  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 from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  PublisherDOI

• CCDC 2432906: Experimental Crystal Structure Determination

  The Cambridge Structural Database · 2026-03-05 · 1 citations

  datasetOpen access

  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 from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  PublisherDOI

• CCDC 2448128: Experimental Crystal Structure Determination

  The Cambridge Structural Database · 2026-03-05 · 1 citations

  datasetOpen access

  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 from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  PublisherDOI

• CCDC 2340165: Experimental Crystal Structure Determination

  The Cambridge Structural Database · 2026-03-05 · 1 citations

  datasetOpen access

  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 from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  PublisherDOI

• CCDC 2391514: Experimental Crystal Structure Determination

  The Cambridge Structural Database · 2026-03-06 · 1 citations

  datasetOpen access

  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 from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  PublisherDOI

• CCDC 2439964: Experimental Crystal Structure Determination

  The Cambridge Structural Database · 2026-03-05 · 1 citations

  datasetOpen access

  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 from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  PublisherDOI

• Unexpected dispersion-stabilized tris(terphenylthiolate) complexes, Ln(SAr ^{<i>i</i> Pr6} ) ₃ , arising from two-electron reduction by Ln(SAr ^{<i>i</i> Pr6} ) ₂ [Ar ^{<i>i</i> Pr6} = C ₆ H ₃ -2,6-(C ₆ H ₂ -2,6,4- ^<i>i</i> Pr ₃ ) ₂ ]

  Chemical Science · 2026-01-01

  articleOpen accessCorresponding

  Attractive London dispersion effects were found to be responsible for ca. half of the dissociation energy of the thiolate ligands in the first examples of M(EAr i Pr6 ) 3 complexes of any metal with any donor [Ar i Pr6 = C 6 H 3 -2,6-(C 6 H 2 -2,4,6- i Pr 3 ) 2 ].

  PublisherOA PDFDOI

• Isolable Cuprocenes: Bis(tri- <i>tert</i> -butylcyclopentadienyl) Complexes of Copper

  Journal of the American Chemical Society · 2026-01-26 · 1 citations

  articleCorresponding

  Seventy years after the discovery of ferrocene, the first neutral bis(cyclopentadienyl)metal complex of copper has been synthesized: Cpttt2Cu, 1 (Cpttt = C5H2tBu3). Comparison of this compound and the related anion, (Cpttt2Cu)1–, and cation, (Cpttt2Cu)1+, shows how the (Cpttt)1– ligand can provide stability to copper compounds in three different levels of charge. The reaction between KCpttt and copper(I) triflate in Et2O results in disproportionation to Cu metal and the blue-green neutral bis(cyclopentadienyl) copper metallocene Cpttt2Cu, 1, which has a slipped η5-Cpttt:η2-Cpttt structure. This reaction was found to proceed through the red intermediate [CptttCu(OTf)]2, 2 which has one η2-bound (Cpttt)1– ligand. Complexes 1 and 2 could also be prepared from the reaction of KCpttt with copper(II) triflate. Reduction of Cpttt2Cu with KC8 in the presence of 2.2.2-cryptand (crypt) affords the colorless metallocene anion complex [K(crypt)][Cpttt2Cu], 3, in which both (Cpttt)1– ligands are η2-bound. Oxidation of Cpttt2Cu with the ammoniumyl radical salt [N(C6H4Br-4)3][B(C6F5)4] gives the purple cationic cuprocenium complex [Cpttt2Cu][B(C6F5)4], 4, which has η3:η2-coordination of the (Cpttt)1– ligands. Although 1, 3, and 4 have copper in the formal oxidation states of +2, +1, and +3, respectively, density functional theory calculations indicate that the charge on copper is similar in all three complexes, which attests to the ability of the (Cpttt)1– ligand to delocalize electron density by varying the coordination mode.

  PublisherDOI

• CCDC 2386530: Experimental Crystal Structure Determination

  The Cambridge Structural Database · 2026-01-28

  datasetOpen access

  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 from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  PublisherDOI

• CCDC 2386531: Experimental Crystal Structure Determination

  The Cambridge Structural Database · 2026-01-28

  datasetOpen access

  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 from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  PublisherDOI

Recent grants

• In Search of an Optimum Reference

  NSF · $450k · 2021–2024

• Elements: libkrylov, a Modular Open-Source Software Library for Extremely Large Eigenvalue and Linear Problems

  NSF · $600k · 2018–2022

• Electronic Structure Methods for Small-Gap Systems

  NSF · $493k · 2015–2018

• Development of Electron Correlation Methods Based on the Random Phase Approximation

  NSF · $360k · 2009–2012

• Fluctuation-Based Electronic Structure Methods

  NSF · $490k · 2018–2021

Frequent coauthors

• Joseph W. Ziller

  University of California, Irvine

  311 shared

• William J. Evans

  University of California, Irvine

  186 shared

• Megan E. Fieser

  University of Southern California

  106 shared

• Jefferson E. Bates

  Appalachian State University

  94 shared

• W.J. Evans

  The Ohio State University

  92 shared

• William J. Evans

  81 shared

• Guo P. Chen

  Rice University

  64 shared

• J.W. Ziller

  56 shared

Education

• Ph.D., Chemistry

  University of California, Irvine

  2010

• M.S., Chemistry

  University of California, Irvine

  2006

• B.S., Chemistry

  University of California, Irvine

  2004