Publications

At UAkron

  1. A Tetrahedral Neptunium(V) Complex

  2. Searching for Stable Copper Borozene Complexes in CuB7 and CuB8

    Phys. Chem. Chem. Phys. 2024, 26, 12928-12938.
    Themed Collection: “Size effects in chemistry & physics of atomic & molecular clusters, nanoparticles & nanostructures”,
    2024 Hot PCCP article,
    Front Outside Cover

  3. The Structural and Electronic Split: Boron vs. Aluminum Hydrides

    Chem. Phys. Rev. 2024, 5 , 011401 (Invitation by Prof. Xiaosong Li).
    Editor’s Choice as a Featured Article

  4. Synthesis and Characterization of Uranium Complexes Supported by Substituted Aryldimethylsilylanilide Ligands

    Organometallics 2024, 43, 284-298.
    Journal Cover

  5. Impact of Pendent Ammonium Groups on Solubility and Cycling Charge Carrier Performance in Nonaqueous Redox Flow Batteries

    Inorg. Chem. 2023, 62, 19218-19229.

  6. Structural Distortion by Alkali Metal Cations Modulates the Redox and Electronic Properties of Ce3+ Imidophosphorane Complexes

    Chem. Sci. 2023, 14, 1170811717.
    “2023 Chemical Science HOT Article Collection”

  7. Divergent Stabilities of Tetravalent Cerium, Uranium, and Neptunium Imidophosphorane Complexes
    Kaitlyn S. OtteJulie E. NiklasChad M. StudvickAndrew C. BoggianoJohn Bacsa, Ivan A. Popov, and Henry S. La Pierre
    Angew. Chem. Int. Ed. 2023, e202306580.
    “Hot Paper”

  8. Ligand Control of Oxidation and Crystallographic Disorder in the Isolation of Hexavalent Uranium Mono-Oxo Complexes
    Julie E. Niklas, Chad M. Studvick, John Bacsa, Ivan A. Popov, and Henry S. La Pierre
    Inorg. Chem. 2023, 62, 2304-2316.

  9. Single-Metal-Encapsulated Double-Cage [Pt@Sn17]4−: An Exception from Group 14 Endohedral Clusters
    Hong-Lei Xu, Chad M. Studvick, Chao Liu, Yuan Xue, Ivan A. Popov, and Zhong-Ming Sun
    Chem. Eur. J. 2022, e202202651.
    “VIP”
    , Inside Cover, Akron’s Digest

  10. [Nb@Ge13/14]3−: New Family Members of Ge-based Intermetalloid Clusters
    Ya-Shan Huang, Yuan Xue, Alvaro Muñoz-Castro, Ivan A. Popov, and Zhong-Ming Sun
    Chem. Eur. J. 2022, e202202192.

  11. Zwitterionic Ferrocenes: An Approach for Redox Flow Battery (RFB) Catholytes
    Baosen Zhang, Briana R. Schrage, Ariana Frkonja-Kuczin, Sanjay Gaire, Ivan A. Popov, Christopher J. Ziegler, and Aliaksei Boika
    Inorg. Chem. 2022, 61, 8117–8120.

  12. Synthesis, Solid-State, Solution, and Theoretical Characterization of an “In-Cage” Scandium-NOTA Complex
    Kelly E. Aldrich, Ivan A. Popov, Harrison D. Root, Enrique R. Batista, Samuel M. Greer, Stosh A. Kozimor, Laura M. Lilley, Maksim Y. Livshits, Veronika Mocko, Michael T. Janicke, Brian L. Scott, Benjamin W. Stein, and Ping Yang
    Dalton Trans. 2022, 51, 9994-10005.

  13. Symmetry Collapse Due to the Presence of Multiple Local Aromaticity in Ge244−
    Hong-Lei Xu, Nikolay V. Tkachenko, Dariusz W. Szczepanik, Ivan A. Popov, Alvaro Muñoz-Castro, Alexander I. Boldyrev, and Zhong-Ming Sun
    Nat. Comm. 2022, 13, 1-8.
    Editors’ Highlights of “Inorganic and physical chemistry”

  14. Spectroscopic and Electrochemical Characterization of a Pr4+ Imidophosphorane Complex and the Redox Chemistry of Nd3+ and Dy3+ Complexes
    Natalie T. Rice, Ivan A. Popov, Rebecca K. Carlson, Samuel M. Greer, Andrew C. Boggiano, Benjamin W. Stein, John Bacsa, Enrique R. Batista, Ping Yang, and Henry S. La Pierre 
    Dalton Trans. 2022, 51, 6696-6706.

  15. An Allyl Uranium (IV) Sandwich Complex: Are ϕ Bonding Interactions Possible?
    Ivan A. Popov, Brennan S. Billow, Stephanie H. Carpenter, Enrique R. Batista, James M. Boncella, Aaron M. Tondreau, and Ping Yang
    Chem. Eur. J. 2022, 28, e202200114.
    “Hot Paper”

Before UAkron

  1. Ternary Aromatic and Anti-aromatic Clusters Derived from the Hypho Species [Sn2Sb5]3−
    Yu-He Xu, Nikolay V Tkachenko, Ivan A. Popov, Lei Qiao, Alvaro Muñoz-Castro, Alexander I. Boldyrev, and Zhong-Ming Sun
    Nat. Comm. 2021, 12, 1-8.

  2. Bridging Aromatic/Antiaromatic Units: Recent Advances in Aromaticity and Antiaromaticity in Main‐Group and Transition‐Metal Clusters from Bonding and Magnetic Analyses
    Nikolay V. Tkachenko, Ivan A. Popov, Maksim Kulichenko, Nikita Fedik, Zhong‐Ming Sun, Alvaro Muñoz‐Castro, and Alexander I. Boldyrev
    Eur. J. Inorg. Chem. 2021, 2021, 4239-4250.

  3. Complexation of Lanthanides and Heavy Actinides with Aqueous Sulfur Donating Ligands
    Nathan P. Bessen, Ivan A. Popov, Colt R. Heathman, Travis S. Grimes, Peter R. Zalupski, Liane M. Moreau, Kurt F. Smith, Corwin H. Booth, Rebecca J. Abergel, Enrique R. Batista, Ping Yang, and Jenifer C. Shafer
    Inorg. Chem. 2021, 60, 9, 6125–6134.
    Featured Article, Editor’s Choice

  4. Iron-Iminopyridine Complexes as Charge Carriers for Non-Aqueous Redox Flow Battery Applications
    Shikha Sharma, Gabriel A. Andrade, Sandip Maurya, Ivan A. Popov, Enrique R. Batista, Benjamin L. Davis, Rangachary Mukundan, Nathan C. Smythe, Aaron M. Tondreau, Ping Yang, and John C. Gordon
    Energy Storage Mater. 2021, 37, 576–586.

  5. A Comparative Review of Metal-Based Charge Carriers in Nonaqueous Flow Batteries
    Travis Charles Palmer, Andrew Beamer, Tristan Pitt, Ivan A. Popov, Claudina X. Cammack, Harry D. Pratt III, Travis M. Anderson, Enrique R. Batista, Ping Yang, Benjamin L. Davis
    ChemSusChem, 2021, 14, 1214–1228.
    “VIP”
    , Cover Profile

  6. Expanding the Potential of Redox Carriers for Flow Battery Applications

    J. Mater. Chem. A 2020, 8, 17808–17816.

  7. σ-Aromaticity-Induced Stabilization of Heterometallic Supertetrahedral Clusters [Zn6Ge16]4– and [Cd6Ge16]4–
    Hong-Lei Xu, Ivan A. Popov, Nikolay V. Tkachenko, Zi-Chuan Wang, Alvaro Muñoz-Castro, Alexander I. Boldyrev,
    Zhong-Ming Sun
    Angew. Chem. Int. Ed. 2020, 59, 17286–17290.
    “Hot Paper”

  8. Comparison of Tetravalent Cerium and Terbium Ions in a Conserved, Homoleptic Imidophosphorane Ligand Field


  9. Boron‐Made N2: Realization of a B≡B Triple Bond in the B2Al3 Cluster
    Nikita Fedik, Chaonan Mu, Ivan A. Popov, Wei Wang, Jie Wang, Haopeng Wang, Kit H. Bowen, Alexander I. Boldyrev, and Xinxing Zhang
    Chem. Eur. J. 2020, 26
    , 8017–8021.

  10. δ and φ Back-Donation in AnIV Metallacycles
    Morgan P. Kelley, Ivan A. Popov, Julie Jung, Enrique R. Batista, and Ping Yang
    Nat. Commun.2020, 11, 1558.
    Also featured in: Chemistry World
    , C&EN, News Stories, and STE Highlights at LANL

  11. Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex
    Natalie T. Rice, Ivan A. Popov, Dominic R. Russo, John Bacsa, Enrique R. Batista, Ping Yang, Joshua Telser, and Henry S. La Pierre
    J. Am. Chem. Soc. 2019, 141, 13222–13233.

  12. Structure and Bonding in [Sb@In8Sb12]3− and [Sb@In8Sb12]5−
    Chao Liu, Nikolay V. Tkachenko, Ivan A. Popov, Nikita Fedik, Xue Min, Cong-Qiao Xu, Jun Li, John E. McGrady, Alexander I. Boldyrev, and Zhong-Ming Sun
    Angew. Chem. Int. Ed. 2019, 58, 8367–8371.
    Inside Cover

  13. Linked Picolinamide Nickel Complexes As Redox Carriers for Non-Aqueous Flow Batteries
    Terry Chu, Ivan A. Popov, Gabriel A. Andrade, Sandip Maurya, Ping Yang, Enrique R. Batista, Brian L. Scott, Rangachary Mukundan, and Benjamin L. Davis
    ChemSusChem 2019, 12, 1304–1309.
    The Cover Feature

  14. Catalyst-Inspired Charge Carriers for High Energy Density Redox Flow Batteries
    Ivan A. Popov, Benjamin L. Davis, Rangachary Mukundan, Enrique R. Batista and Ping Yang
    Front. Phys. 2019, 6, 1–10.

  15. Impact of Ligand Substitutions on Multielectron Redox Properties of Fe Complexes Supported by Nitrogenous Chelates
    Ivan A. Popov, Nada Mehio, Terry Chu, Benjamin L. Davis, Rangachary Mukundan, Ping Yang, and Enrique R. Batista
    ACS Omega 2018, 3, 14766–14778.

  16. Realization of an Al≡Al Triple Bond in the Gas-Phase Na3Al2 Cluster via Double Electronic Transmutation
    Xinxing Zhang, Ivan A. Popov, Katie A. Lundell, Haopeng Wang, Chaonan Mu, Wei Wang, Hansgeorg Schnöckel, Alexander I. Boldyrev, and Kit H. Bowen
    Angew. Chem. Int. Ed. 2018, 57, 14060–14064.
    Also featured in:
    C&EN, Science Briefs at LANL

  17. Symmetry Reduction upon Size Mismatch: The Non-Icosahedral Intermetalloid Cluster [Co@Ge12]3−
    Chao Liu, Lei-Jiao Li, Ivan A. Popov, Robert J. Wilson, Cong-Qiao Xu, Jun Li, Alexander I. Boldyrev, and Zhong-Ming Sun
    Chin. J. Chem. 2018, 36, 1165–1168.

  18. Aromaticity and Antiaromaticity in Zintl Clusters
    Chao Liu, Ivan A. Popov, Zhongfang Chen, Alexander I. Boldyrev, and Zhong-Ming Sun
    Chem. Eur. J. 2018, 24, 14583–14597.

  19. Multicenter Bonding Effects in Oxygen Vacancy in the Bulk and on the Surface of MgO
    Ivan A. Popov, Elisa Jimenez-Izal, Anastassia N. Alexandrova, and Alexander I. Boldyrev
    J. Phys. Chem. C 2018, 122, 11933–11937.

  20. [Co2@Ge16]4-: Localized vs. Delocalized Bonding in Two Isomeric Intermetalloid Clusters
    Chao Liu, Ivan A. Popov, Lei-Jiao Li,Ning Li, Alexander I. Boldyrev, and Zhong-Ming Sun
    Chem. Eur. J. 2018, 24, 699–705.
    Hot Paper

  21. Usefulness of the σ-Aromaticity and σ-Antiaromaticity Concepts for Clusters and Solid-State Compounds
    Ivan A. Popov, Alyona A. Starikova, Dmitry V. Steglenko, and Alexander I. Boldyrev
    Chem. Eur. J. 2018, 24, 292–305.

  22. Predicting the Structure and Chemistry of Low-Dimensional Materials
    Xiaohu Yu, Artem R. Oganov, Zhenhai Wang, Gabriele Saleh, Vinit Sharma, Qiang Zhu, Qinggao Wang, Xiang-Feng Zhou, Ivan A. Popov, Alexander I. Boldyrev, Vladimir S. Baturin, and Sergey V. Lepeshkin
    In Handbook of Solid State Chemistry. R. Dronskowski, S. Kikkawa, A. Stein (Eds). Wiley‐VCH Verlag GmbH & Co. KGaA, 2017, pp. 527–570.

  23. Long-Range Magnetic Response of Toroidal Boron Structures: B16 and [Co@B16]−/3− Species
    Alvaro Muñoz-Castro, Ivan A. Popov, and Alexander I. Boldyrev
    Phys. Chem. Chem. Phys. 2017, 19, 26145–26150.

  24. A Stable Compound of Helium and Sodium at High Pressure
    Xiao Dong, Artem R. Oganov, Alexander F. Goncharov, Elissaios Stavrou, Sergey Lobanov, Gabriele Saleh, Guang-Rui Qian, Qiang Zhu, Carlo Gatti, Volker L. Deringer, Richard Dronskowski, Xiang-Feng Zhou, Vitali B. Prakapenka, Zuzana Konôpková, Ivan A. Popov, Alexander I. Boldyrev, and Hui-Tian Wang
    Nat. Chem. 2017, 9, 440–445.
    Also featured in: C&EN
    , Utah State Today, Chemistry World, GIZMODO, Carnegie Science, International Business Times, IFLSCIENCE!, ScienceAlert, AZOMATERIALS, EurekAlert!, Space.com

  25. Peculiar All-Metal σ-Aromaticity of [Au2Sb16]4− Anion in the Solid State
    Ivan A. Popov, Fu-Xing Pan, Xue-Rui You, Lei-Jiao Li, Eduard Matito, Chao Liu, Hua-Jin Zhai, Zhong-Ming Sun, Alexander I. Boldyrev
    Angew. Chem. Int. Ed. 2016, 55, 15344–15346.

  26. Manganese-Centered Tubular Boron Cluster – MnB16: A New Class of Transition-Metal Molecules
    Tian Jian, Wan-Lu Li, Ivan A. Popov, Gary V. Lopez, Xin Chen, Alexander I. Boldyrev, Jun Li, and Lai-Sheng Wang
    J. Chem. Phys. 2016, 144, 154310.

  27. All-Metal Antiaromaticity in Sb4-Type Lanthanocene Anions
    Xue Min, Ivan A. Popov, Fu-Xing Pan, Lei-Jiao Li, Eduard Matito, Zhong-Ming Sun, Lai-Sheng Wang, and Alexander I. Boldyrev
    Angew. Chem. Int. Ed. 2016, 55, 5531–5535.

  28. Two-Dimensional Magnetic Boron
    Xiang-Feng Zhou, Artem R. Oganov, Zhenhai Wang, Ivan A. Popov, Alexander I. Boldyrev, and Hui-Tian Wang
    Phys. Rev. B 2016, 93, 085406.

  29. d-AO Spherical Aromaticity in Ce6O8
    Xiaohu Yu, Artem R. Oganov, Ivan A. Popov, and Alexander I. Boldyrev
    J. Comput. Chem. 2016, 37, 103–109.

  30. Antiferromagnetic Stabilization in the Ti8O12 Cluster
    Xiaohu Yu, Artem R. Oganov, Ivan A. Popov, Guangrui Qian, and Alexander I. Boldyrev
    Angew. Chem. Int. Ed. 2016, 55, 1699–1703.

  31. Classical and Multicenter Bonding in Boron: Two Faces of Boron
    Ivan A. Popov and Alexander I. Boldyrev
    In Boron. D. Hnyk and M. L. McKee (Eds), Springer International Publishing Switzerland, 2015, pp. 1–16.

  32. Cobalt-Centred Boron Molecular Drums with the Highest Coordination Number in the CoB16 Cluster
    Ivan A. Popov, Tian Jian, Gary V. Lopez, Alexander I. Boldyrev, and Lai-Sheng Wang
    Nat. Commun. 2015, 6, 8654.
    Also featured in: C&EN, ChemViews Magazine, Utah State Today, N+1 Internet Edition, Molecules of the Year for 2015 by C&EN

  33. Revealing Unusual Chemical Bonding in Planar Hyper-Coordinate Ni2Ge and Quasi-Planar Ni2Si Two-Dimensional Crystals
    Li-Ming Yang, Ivan A. Popov, Thomas Frauenheim, Alexander I. Boldyrev, Thomas Heine, Vladimir Bačić, and Eric Ganz
    Phys. Chem. Chem. Phys. 2015, 17, 26043–26048.

  34. Aluminum Chain in Li2Al3H8 as Suggested by Photoelectron Spectroscopy and ab initio Calculations
    Ivan A. Popov, Xinxing Zhang, Bryan W. Eichhorn, Alexander I. Boldyrev, and Kit H. Bowen
    Phys. Chem. Chem. Phys. 2015, 17, 26079–26083.
    Also featured in: Atlas of Science

  35. Post-anti-van’t Hoff-Le Bel Motif in Atomically Thin Germanium-Copper Alloy Film
    Li-Ming Yang, Ivan A. Popov, Alexander I. Boldyrev, Thomas Heine, Thomas Frauenheim, and Eric Ganz
    Phys. Chem. Chem. Phys. 2015, 17, 17545–17551.

  36. Homocatenation of Aluminum: Alkane-like Structures of Li2Al2H6 and Li3Al3H8
    J. Tyler Gish, Ivan A. Popov, and Alexander I. Boldyrev
    Chem. Eur. J. 2015, 21, 5307–5310.
    Front Cover and Cover Profile

  37. Two-dimensional Cu2Si Monolayer with Planar Hexacoordinate Copper and Silicon Bonding
    Li-Ming Yang, Vladimir Bačić, Ivan A. Popov, Alexander I. Boldyrev, Thomas Heine, Thomas Frauenheim, and Eric Ganz
    J. Am. Chem. Soc. 2015, 137, 2757–2762.
    Also featured in: JACS SPOTLIGHTS

  38. Assessing the Viability of Extended Nonmetal Atom Chains in MnF4n+2 (M=S and Se)
    Ivan A. Popov, Boris B. Averkiev, Alyona A. Starikova, Alexander I. Boldyrev, Ruslan M. Minyaev, Vladimir I. Minkin
    Angew. Chem. Int. Ed. 2015, 54, 1476–1480.
    Also featured in: Sciencing

  39. Supertetrahedral B80H20, C80H20, and Al80H20 Analogs of Dodecahedrane and their Substituted Molecules
    Ruslan M. Minyaev, Ivan A. Popov, Vitaly V. Koval, Alexander I. Boldyrev, and Vladimir I. Minkin
    Struct. Chem. 2015, 26, 223–229.

  40. A Photoelectron Spectroscopy and Ab Initio Study of the Structures and Chemical Bonding of the B25 Cluster
    Zachary A. Piazza, Ivan A. Popov, Wei-Li Li, Rhitankar Pal, Xiao Cheng Zeng, Alexander I. Boldyrev, and Lai-Sheng Wang
    J. Chem. Phys. 2014, 141, 034303.

  41. The I=X (X = O,N,C) Double Bond in Hypervalent Iodine Compounds: Is it Real?
    Alexander S. Ivanov, Ivan A. Popov, Alexander I. Boldyrev, and Viktor V. Zhdankin
    Angew. Chem. Int. Ed. 2014, 53, 9617–9621.
    Also featured in: Chemistry World

  42. Chemical Bonding in Inorganic Aromatic Compounds
    Ivan A. Popov, and Alexander I. Boldyrev
    In The Chemical Bond: Chemical Bonding Across the Periodic Table. G. Frenking and S. Shaik (Eds), Wiley-VCH, Weinheim, 2014, pp. 421–444.

  43. Understanding Boron through Size-Selected Clusters: Structure, Chemical Bonding, and Fluxionality
    Alina P. Sergeeva, Ivan A. Popov, Zachary A. Piazza, Wei-Li Li, Constantin Romanescu, Lai-Sheng Wang, and Alexander I. Boldyrev
    Acc. Chem. Res. 2014, 47, 1349–1358.

  44. Complexes Between Planar Boron Clusters and Transition Metals: a Photoelectron Spectroscopy and ab initio Study of CoB12 and RhB12
    Ivan A. Popov, Wei-Li Li, Zachary A. Piazza, Alexander I. Boldyrev, and Lai-Sheng Wang
    J. Phys. Chem. A 2014, 118, 8098–8105.

  45. A Combined Photoelectron Spectroscopy and Ab Initio Study of the Quasi-Planar B24 Cluster
    Ivan A. Popov, Zachary A. Piazza, Wei-Li Li, Lai-Sheng Wang, and Alexander I. Boldyrev
    J. Chem. Phys. 2013, 139, 144307.

  46. Structural Changes in the Series of Boron-Carbon Mixed Clusters CxB10-x (x = 3–10)
    Ivan A. Popov, Valery F. Popov, Konstantin V. Bozhenko, Ivan Černušák, and Alexander I. Boldyrev
    J. Chem. Phys. 2013, 139, 114307.

  47. “Benzation” of Graphene upon Addition of Monovalent Chemical Species
    Ivan A. Popov, Yafei Li, Zhongfang Chen, and Alexander I. Boldyrev
    Phys. Chem. Chem. Phys. 2013, 15, 6842–6848.

  48. Computational Probing of All-Boron Li2nB2nH2n+2 Polyenes
    Ivan A.Popov and Alexander I.Boldyrev
    Comp. Theor. Chem. 2013, 1004, 5–11.

  49. Chemical Bonding in Coronene, Isocoronene, and Circumcoronene
    Ivan A. Popov and Alexander I. Boldyrev
    Eur. J. Org. Chem. 2012, 18, 3485–3491.

  50. Deciphering Chemical Bonding in BC3 Honeycomb Epitaxial Sheet
    Ivan A. Popov and Alexander I. Boldyrev
    J. Phys. Chem. C 2012, 116, 3147–3152.

  51. Is Graphene Aromatic?
    Ivan A. Popov, Konstantin V. Bozhenko, and Alexander I. Boldyrev
    Nano Research 2012, 5, 117–123.