Publications
At UAkron
- A Tetrahedral Neptunium(V) Complex
- 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 - 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 - Synthesis and Characterization of Uranium Complexes Supported by Substituted Aryldimethylsilylanilide Ligands
Organometallics 2024, 43, 284-298.
Journal Cover - Impact of Pendent Ammonium Groups on Solubility and Cycling Charge Carrier Performance in Nonaqueous Redox Flow Batteries
Inorg. Chem. 2023, 62, 19218-19229.
- Structural Distortion by Alkali Metal Cations Modulates the Redox and Electronic Properties of Ce3+ Imidophosphorane Complexes
Chem. Sci. 2023, 14, 11708–11717.
“2023 Chemical Science HOT Article Collection” - Divergent Stabilities of Tetravalent Cerium, Uranium, and Neptunium Imidophosphorane Complexes
Kaitlyn S. Otte, Julie E. Niklas, Chad M. Studvick, Andrew C. Boggiano, John Bacsa, Ivan A. Popov, and Henry S. La Pierre
Angew. Chem. Int. Ed. 2023, e202306580.
“Hot Paper” - 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. - 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 - [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. - 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. - 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. - 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” - 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. - 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
- 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. - 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. - 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 - 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. - 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 - Expanding the Potential of Redox Carriers for Flow Battery Applications
J. Mater. Chem. A 2020, 8, 17808–17816. - 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” - Comparison of Tetravalent Cerium and Terbium Ions in a Conserved, Homoleptic Imidophosphorane Ligand Field
- 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. - 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 - 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. - 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 - 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 - 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. - 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. - 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 - 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. - 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. - 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. - [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“ - 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. - 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. - 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. - 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 - 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. - 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. - 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. - 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. - 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. - 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. - 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. - 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 - 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. - 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 - 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. - 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 - 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 - 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 - 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. - 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. - 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 - 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. - 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. - 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. - 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. - 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. - “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. - Computational Probing of All-Boron Li2nB2nH2n+2 Polyenes
Ivan A.Popov and Alexander I.Boldyrev
Comp. Theor. Chem. 2013, 1004, 5–11. - Chemical Bonding in Coronene, Isocoronene, and Circumcoronene
Ivan A. Popov and Alexander I. Boldyrev
Eur. J. Org. Chem. 2012, 18, 3485–3491. - Deciphering Chemical Bonding in BC3 Honeycomb Epitaxial Sheet
Ivan A. Popov and Alexander I. Boldyrev
J. Phys. Chem. C 2012, 116, 3147–3152. - Is Graphene Aromatic?
Ivan A. Popov, Konstantin V. Bozhenko, and Alexander I. Boldyrev
Nano Research 2012, 5, 117–123.