Crystallographic Characterization of U@C2n (2n = 82–86): Insights about Metal–Cage Interactions for Mono-metallofullerenes

Favorite Orientation of the Carbon Cage and a Unique Two-Dimensional-Layered Packing Model in the Cocrystals of Nd@C82(I,II) Isomers with Decapyrrylcorannulene

(2021) Yu Zhang et al.   INORGANIC CHEMISTRY

Characterization of a strong covalent Th3+–Th3+ bond inside an Ih(7)-C80 fullerene cage

(2021) Jiaxin Zhuang et al.   Nature Communications

Crystallographic Characterization of Er2C2@C80–88: Cluster Stretching with Cage Elongation

(2020) Shuaifeng Hu et al.   INORGANIC CHEMISTRY

Interconversions between Uranium Mono-metallofullerenes: Mechanistic Implications and Role of Asymmetric Cages

(2020) Wenting Cai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Gd@C82 single-molecule electret

(2020) Kangkang Zhang et al.   Nature Nanotechnology

Isolation and Structural Characterization of Er@C2v(9)-C82 and Er@Cs(6)-C82: Regioselective Dimerization of a Pristine Endohedral Metallofullerene Induced by Cage Symmetry

(2019) Shuaifeng Hu et al.   INORGANIC CHEMISTRY

Crystallographic and Theoretical Investigations of Er2@C2n (2n = 82, 84, 86): Indication of Distance‐Dependent Metal‐Metal Bonding Nature

(2019) Xing Lu et al.   CHEMISTRY-A EUROPEAN JOURNAL

Th@Td(19151)-C76: A Highly Symmetric Fullerene Cage Stabilized by a Tetravalent Actinide Metal Ion

(2019) Meihe Jin et al.   INORGANIC CHEMISTRY

Preferential Formation of Mono-Metallofullerenes Governed by the Encapsulation Energy of the Metal Elements: A Case Study on Eu@C2n (2n =74-84) Revealing a General Rule

(2019) Lipiao Bao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Endohedral Metallofullerenes: New Structures and Unseen Phenomena

(2019) Xing Lu et al.   CHEMISTRY-A EUROPEAN JOURNAL

Th-Based Endohedral Metallofullerenes: Anomalous Metal Position and Significant Metal-Cage Covalent Interactions with the Involvement of Th 5f Orbitals

(2018) Ying Li et al.   INORGANIC CHEMISTRY

U2@Ih(7)-C80: Crystallographic Characterization of a Long-Sought Dimetallic Actinide Endohedral Fullerene

(2018) Xingxing Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystalline functionalized endohedral C60 metallofullerides

(2018) Ayano Nakagawa et al.   Nature Communications

Robust metal-pentagon interactions in the Th-based endohedral metallofullerenes revealed by DFT calculations

(2018) Ying Li et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Synthesis and Characterization of Non-Isolated-Pentagon-Rule Actinide Endohedral Metallofullerenes U@C1(17418)-C76, U@C1(28324)-C80, and Th@C1(28324)-C80: Low-Symmetry Cage Selection Directed by a Tetravalent Ion

(2018) Wenting Cai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Th@C76 . Computational characterization of larger actinide endohedral fullerenes

(2017) Peng Jin et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Lu2@C2n (2n = 82, 84, 86): Crystallographic Evidence of Direct Lu–Lu Bonding between Two Divalent Lutetium Ions Inside Fullerene Cages

(2017) Wangqiang Shen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unique Four-Electron Metal-to-Cage Charge Transfer of Th to a C82 Fullerene Cage: Complete Structural Characterization of Th@C3v(8)-C82

(2017) Yaofeng Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single crystal structures and theoretical calculations of uranium endohedral metallofullerenes (U@C2n, 2n = 74, 82) show cage isomer dependent oxidation states for U

(2017) Wenting Cai et al.   Chemical Science

Isolation and Crystallographic Characterization of the Labile Isomer of Y@C82 Cocrystallized with Ni(OEP): Unprecedented Dimerization of Pristine Metallofullerenes

(2016) Lipiao Bao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Unanticipated Dimerization of Ce@C2v(9)-C82upon Co-crystallization with Ni(octaethylporphyrin) and Comparison with Monomeric M@C2v(9)-C82(M = La, Sc, and Y)

(2016) Mitsuaki Suzuki et al.   CHEMISTRY-A EUROPEAN JOURNAL

Isolation and Structure Determination of a Missing Endohedral Fullerene La@C70 through In Situ Trifluoromethylation

(2015) Zhiyong Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Popular C82 Fullerene Cage Encapsulating a Divalent Metal Ion Sm2+: Structure and Electrochemistry

(2015) Ziqi Hu et al.   INORGANIC CHEMISTRY

Sm@C2v(19138)-C76: A Non-IPR Cage Stabilized by a Divalent Metal Ion

(2015) Yajuan Hao et al.   INORGANIC CHEMISTRY

Crystal structure refinement withSHELXL

(2015) George M. Sheldrick   Acta Crystallographica Section C-Structural Chemistry

Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform

(2014) M. Álvarez-Moreno et al.   Journal of Chemical Information and Modeling

Endohedral Fullerenes

(2013) Alexey A. Popov et al.   CHEMICAL REVIEWS

Isolation and Crystallographic Characterization of Sm@C2v(3)-C80 Through Cocrystal Formation with NiII(octaethylporphyrin) or Bis(ethylenedithio)tetrathiafulvalene

(2013) Hua Yang et al.   INORGANIC CHEMISTRY

Molecular Structure and Chemical Property of a Divalent Metallofullerene Yb@C2(13)-C84

(2013) Wenjun Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural and electrochemical studies of Sm@D3h-C74 reveal a weak metal–cage interaction and a small band gap species

(2013) Wei Xu et al.   Nanoscale

A Co-Crystal Composed of the Paramagnetic Endohedral Metallofullerene La@C82 and a Nickel Porphyrin with High Electron Mobility

(2012) Satoru Sato et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Where Does the Metal Cation Stay in Gd@C2v(9)-C82? A Single-Crystal X-ray Diffraction Study

(2012) Mitsuaki Suzuki et al.   INORGANIC CHEMISTRY

X-ray Crystallographic Characterization of New Soluble Endohedral Fullerenes Utilizing the Popular C82 Bucky Cage. Isolation and Structural Characterization of Sm@C3v(7)-C82, Sm@Cs(6)-C82, and Sm@C2(5)-C82

(2012) Hua Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single-Crystal X-ray Diffraction Study of Three Yb@C82 Isomers Cocrystallized with NiII(octaethylporphyrin)

(2012) Mitsuaki Suzuki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single Samarium Atoms in Large Fullerene Cages. Characterization of Two Isomers of Sm@C92 and Four Isomers of Sm@C94 with the X-ray Crystallographic Identification of Sm@C1(42)-C92, Sm@Cs(24)-C92, and Sm@C3v(134)-C94

(2012) Hongxiao Jin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Sm@C2v(3)-C80: site-hopping motion of endohedral Sm atom and metal-induced effect on redox profile

(2012) Wei Xu et al.   Nanoscale

Isolation and Structural Characterization of Two Very Large, and Largely Empty, Endohedral Fullerenes: Tm@C3v-C94and Ca@C3v-C94

(2011) Yuliang Che et al.   INORGANIC CHEMISTRY

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Isolation and Crystallographic Identification of Four Isomers of Sm@C90

(2011) Hua Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural Elucidation and Regioselective Functionalization of An Unexplored Carbide Cluster Metallofullerene Sc2C2@Cs(6)-C82

(2011) Xing Lu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystallographic X-ray Analyses of Yb@C2v(3)-C80Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene

(2011) Xing Lu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Shape of the Sc2(μ2-S) Unit Trapped in C82: Crystallographic, Computational, and Electrochemical Studies of the Isomers, Sc2(μ2-S)@Cs(6)-C82and Sc2(μ2-S)@C3v(8)-C82

(2011) Brandon Q. Mercado et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Sc2(μ2-O) Trapped in a Fullerene Cage: The Isolation and Structural Characterization of Sc2(μ2-O)@Cs(6)-C82and the Relevance of the Thermal and Entropic Effects in Fullerene Isomer Selection

(2010) Brandon Q. Mercado et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure validation in chemical crystallography

(2009) Anthony L. Spek   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

OLEX2: a complete structure solution, refinement and analysis program

(2009) Oleg V. Dolomanov et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS