Nitrene transfer from a sterically confined copper nitrenoid dipyrrin complex

Kurtis M. Carsch, Sasha C. North, Ida M. DiMucci, Andrei Iliescu, Petra Vojáčková, Thomas Khazanov, Shao-Liang Zheng, Thomas R. Cundari, Kyle M. Lancaster and Theodore A. Betley

Chem. Sci., 2023, 14, 10847
DOI: 10.1039/D3SC03641C

X-ray absorption spectra of f-element complexes: insight from relativistic multiconfigurational wavefunction theory

Dumitru-Claudiu Sergentu and Jochen Autschbach

Dalton Trans., 2022, 51, 1754
DOI: 10.1039/D1DT04075H

The chemical and physical properties of tetravalent lanthanides: Pr, Nd, Tb, and Dy

Thaige P. Gompa, Arun Ramanathan, Natalie T. Rice and Henry S. La Pierre

Dalton Trans., 2020, 49, 15945
DOI: 10.1039/D0DT01400A

The duality of electron localization and covalency in lanthanide and actinide metallocenes

Danil E. Smiles, Enrique R. Batista, Corwin H. Booth, David L. Clark, Jason M. Keith, Stosh A. Kozimor, Richard L. Martin, Stefan G. Minasian, David K. Shuh, S. Chantal E. Stieber and Tolek Tyliszczak

Chem. Sci., 2020, 11, 2796
DOI: 10.1039/C9SC06114B

Synthesis, characterization and C–H amination reactivity of nickel iminyl complexes

Yuyang Dong, James T. Lukens, Ryan M. Clarke, Shao-Liang Zheng, Kyle M. Lancaster and Theodore A. Betley

Chem. Sci., 2020, 11, 1260
DOI: 10.1039/C9SC04879K

Gauging aromatic conjugation and charge delocalization in the aryl silanes PhnSiH4−n (n = 0–4), with silicon K-edge XAS and TDDFT

Nicholas A. Phillips, Patrick W. Smith, T. Don Tilley and Stefan G. Minasian

Dalton Trans., 2020, 49, 13176
DOI: 10.1039/D0DT03153D

Revealing Parallel Inter‐ and Intra‐Ligand Charge Transfer Dynamics in [Ru(L)2(dppz)]2+ Molecular Lightswitch with N K‐Edge X‐Ray Absorption Spectroscopy

Elizabeth S. Ryland, Xinzheng Yang, Douglas Garratt, Wade C. Henke, Abdullah Kahraman, Maxwell Taub, Michael Sachs, Elisa Biasin, Christina Y. Hampton, David J. Hoffman, Giacomo Coslovich, Kristjan Kunnus, Georgi L. Dakovski, Michael W. Mara, Lin X. Chen, Karen L. Mulfort, Xiaosong Li and Amy A. Cordones

Angew Chem Int Ed, 2025, 64
DOI: 10.1002/anie.202509496

Lewis Acid Supported Nickel Nitrenoids

Cristin E. Juda, Claire E. Casaday, Ryan M. Clarke, Nicholas P. Litak, Brandon M. Campbell, Tieyan Chang, Shao‐Liang Zheng, Yu‐Sheng Chen and Theodore A. Betley

Angewandte Chemie, 2023, 135
DOI: 10.1002/ange.202313156

Axial Redox Tuning at a Tetragonal Cobalt Center

Jonghoon Choi, Sun Hee Kim and Yunho Lee

Inorg. Chem., 2021, 60, 5647
DOI: 10.1021/acs.inorgchem.0c03676

Accessing Square Planar Cobalt Nitrenoid Redox Isomers across Three Oxidation States

Yongxian Li, Gregory M. George, Alireza Seyed Hajiseyedjavadi, Claire E. Casaday, Samantha N. MacMillan, Dennis Nordlund, Kyle M. Lancaster, Thomas R. Cundari and Yuyang Dong

J. Am. Chem. Soc., 2025, 147, 26714
DOI: 10.1021/jacs.5c07389

Site-specific electronic structure of covalently linked bimetallic dyads from nitrogen K-edge x-ray absorption spectroscopy

Elizabeth S. Ryland, Xiaolin Liu, Gaurav Kumar, Sumana L. Raj, Zhu-Lin Xie, Alexander K. Mengele, Sven S. Fauth, Kevin Siewerth, Benjamin Dietzek-Ivanšić, Sven Rau, Karen L. Mulfort, Xiaosong Li and Amy A. Cordones

The Journal of Chemical Physics, 2024, 160
DOI: 10.1063/5.0192809

Visualizing ultrafast chemical dynamics with X-rays

Roseanne J. Sension

Proc. Natl. Acad. Sci. U.S.A., 2020, 117, 26550
DOI: 10.1073/pnas.2017806117

Unveiling the Redox Noninnocence of Metallocorroles: Exploring K-Edge X-ray Absorption Near-Edge Spectroscopy with a Multiconfigurational Wave Function Approach

Rishu Khurana and Cong Liu

J. Phys. Chem. Lett., 2024, 15, 10985
DOI: 10.1021/acs.jpclett.4c02410

Two Distinct Stages of Structural Modification of ZIF-L MOF under Electron-Beam Irradiation

Supriya Ghosh, Hwanhui Yun, Prashant Kumar, Sabrina Conrad, Michael Tsapatsis and K. Andre Mkhoyan

Chem. Mater., 2021, 33, 5681
DOI: 10.1021/acs.chemmater.1c01332

Excited-State Charge Distribution of a Donor−π–Acceptor Zn Porphyrin Probed by N K-Edge Transient Absorption Spectroscopy

Amy A. Cordones, C. Das Pemmaraju, Jae Hyuk Lee, Ioannis Zegkinoglou, Maria-Eleni Ragoussi, Franz J. Himpsel, Gema de la Torre and Robert W. Schoenlein

J. Phys. Chem. Lett., 2021, 12, 1182
DOI: 10.1021/acs.jpclett.0c03725

Progress in the Theory of X-ray Spectroscopy: From Quantum Chemistry to Machine Learning and Ultrafast Dynamics

C. D. Rankine and T. J. Penfold

J. Phys. Chem. A, 2021, 125, 4276
DOI: 10.1021/acs.jpca.0c11267

Spectroscopic and Computational Interrogation of a High-Valent Nickel-Dialkyl Complex Indicates Electronic Structure Asymmetry Drives C–C Bond Formation Reactivity

Alina Yerbulekova, Yusuff Moshood, Leonel Griego, Hannah S. Shafaat and Liviu M. Mirica

J. Am. Chem. Soc., 2025, 147, 7317
DOI: 10.1021/jacs.4c14104

Core-Excited States and X-ray Absorption Spectra from Multireference Algebraic Diagrammatic Construction Theory

Ilia M. Mazin and Alexander Yu. Sokolov

J. Chem. Theory Comput., 2023, 19, 4991
DOI: 10.1021/acs.jctc.3c00477

Lewis acid-assisted reduction of nitrite to nitric and nitrous oxides via the elusive nitrite radical dianion

Valiallah Hosseininasab, Ida M. DiMucci, Pokhraj Ghosh, Jeffery A. Bertke, Siddarth Chandrasekharan, Charles J. Titus, Dennis Nordlund, Jack H. Freed, Kyle M. Lancaster and Timothy H. Warren

Nat. Chem., 2022, 14, 1265
DOI: 10.1038/s41557-022-01025-9

Electronic Structures and Reactivity Profiles of Aryl Nitrenoid-Bridged Dicopper Complexes

Kurtis M. Carsch, James T. Lukens, Ida M. DiMucci, Diana A. Iovan, Shao-Liang Zheng, Kyle M. Lancaster and Theodore A. Betley

J. Am. Chem. Soc., 2020, 142, 2264
DOI: 10.1021/jacs.9b09616

Formation of TiN protective layer at 500 °C for enhanced oxidation resistance of IMI 834 titanium alloy in aerospace engine applications

Sudarsan Das, Smit Anand, Priti A. Vishwakarma, Reetik Singh, Sanat Kumar Mukherjee, Sanjay Kumar Sinha, Ranbir Kumar, Deep Shikha, Ashwin Kale, Umesh Mahtre, Sunil Ojha, G.R. Umapathy and Mukul Gupta

Ceramics International, 2025
DOI: 10.1016/j.ceramint.2025.09.098

Resonant X-ray photo-oxidation of light-harvesting iron (II/III) N-heterocyclic carbene complexes

Robert H. Temperton, Meiyuan Guo, Giulio D’Acunto, Niclas Johansson, Nils W. Rosemann, Om Prakash, Kenneth Wärnmark, Joachim Schnadt, Jens Uhlig and Petter Persson

Sci Rep, 2021, 11
DOI: 10.1038/s41598-021-01509-7

Exposing the Oxygen‐Centered Radical Character of the Tetraoxido Ruthenium(VIII) Cation [RuO4]+

Mayara da Silva Santos, Robert Medel, Max Flach, Olesya S. Ablyasova, Martin Timm, Bernd von Issendorff, Konstantin Hirsch, Vicente Zamudio‐Bayer, Sebastian Riedel and J. Tobias Lau

ChemPhysChem, 2023, 24
DOI: 10.1002/cphc.202300390

Analyzing the Intensities of K-Edge Transitions in X2 Molecules (X = F, Cl, Br) for Use in Ligand K-Edge X-ray Absorption Spectroscopy

Jacob A. Branson, Patrick W. Smith, John Arnold and Stefan G. Minasian

Inorg. Chem., 2024, 63, 15557
DOI: 10.1021/acs.inorgchem.4c01666

Synthesis of a copper-supported triplet nitrene complex pertinent to copper-catalyzed amination

Kurtis M. Carsch, Ida M. DiMucci, Diana A. Iovan, Alex Li, Shao-Liang Zheng, Charles J. Titus, Sang Jun Lee, Kent D. Irwin, Dennis Nordlund, Kyle M. Lancaster and Theodore A. Betley

Science, 2019, 365, 1138
DOI: 10.1126/science.aax4423

Co-based molecular catalysts for efficient CO2 reduction via regulating spin states

Xiangdong Kong, Jingwen Ke, Zhiqiang Wang, Yan Liu, Yibo Wang, Weiran Zhou, Zhengwu Yang, Wensheng Yan, Zhigang Geng and Jie Zeng

Applied Catalysis B: Environmental, 2021, 290, 120067
DOI: 10.1016/j.apcatb.2021.120067

Revealing Parallel Inter‐ and Intra‐Ligand Charge Transfer Dynamics in [Ru(L)2(dppz)]2+ Molecular Lightswitch with N K‐Edge X‐Ray Absorption Spectroscopy

Elizabeth S. Ryland, Xinzheng Yang, Douglas Garratt, Wade C. Henke, Abdullah Kahraman, Maxwell Taub, Michael Sachs, Elisa Biasin, Christina Y. Hampton, David J. Hoffman, Giacomo Coslovich, Kristjan Kunnus, Georgi L. Dakovski, Michael W. Mara, Lin X. Chen, Karen L. Mulfort, Xiaosong Li and Amy A. Cordones

Angewandte Chemie, 2025, 137
DOI: 10.1002/ange.202509496

Modulating Metal‐Nitrogen Coupling in Anti‐Perovskite Nitride via Cation Doping for Efficient Reduction of Nitrate to Ammonia

Zhiheng Gong, Xuepeng Xiang, Wenye Zhong, Chenghao Jia, Peiyan Chen, Nian Zhang, Shijun Zhao, Weizhen Liu, Yan Chen and Zhang Lin

Angewandte Chemie, 2023, 135
DOI: 10.1002/ange.202308775

Lewis Acid Supported Nickel Nitrenoids

Cristin E. Juda, Claire E. Casaday, Ryan M. Clarke, Nicholas P. Litak, Brandon M. Campbell, Tieyan Chang, Shao‐Liang Zheng, Yu‐Sheng Chen and Theodore A. Betley

Angew Chem Int Ed, 2023, 62
DOI: 10.1002/anie.202313156

Modulating Metal‐Nitrogen Coupling in Anti‐Perovskite Nitride via Cation Doping for Efficient Reduction of Nitrate to Ammonia

Zhiheng Gong, Xuepeng Xiang, Wenye Zhong, Chenghao Jia, Peiyan Chen, Nian Zhang, Shijun Zhao, Weizhen Liu, Yan Chen and Zhang Lin

Angew Chem Int Ed, 2023, 62
DOI: 10.1002/anie.202308775

σ‐Noninnocence: Masked Phenyl‐Cation Transfer at Formal NiIV

Jelte S. Steen, Gerald Knizia and Johannes E. M. N. Klein

Angewandte Chemie, 2019, 131, 13267
DOI: 10.1002/ange.201906658

The Myth of d8 Copper(III)

Ida M. DiMucci, James T. Lukens, Sudipta Chatterjee, Kurtis M. Carsch, Charles J. Titus, Sang Jun Lee, Dennis Nordlund, Theodore A. Betley, Samantha N. MacMillan and Kyle M. Lancaster

J. Am. Chem. Soc., 2019, 141, 18508
DOI: 10.1021/jacs.9b09016

N, O and F K-edges XAS and DFT combination for the exploration of linkage isomers of coordinated nitric oxide in a ruthenium nitrosyl complex

Artem Mikhailov, Tatyana Asanova, Igor Asanov, Igor Píš, Elena Magnano, Gennadiy Kostin and Dominik Schaniel

Journal of Electron Spectroscopy and Related Phenomena, 2023, 266, 147342
DOI: 10.1016/j.elspec.2023.147342

Molecular-Level Pore Tuning in 2D Conductive Metal–Organic Frameworks for Advanced Supercapacitor Performance

Gyuwon Lee, Geunchan Park and Sarah S. Park

J. Am. Chem. Soc., 2024, 146, 29767
DOI: 10.1021/jacs.4c11372

σ‐Noninnocence: Masked Phenyl‐Cation Transfer at Formal NiIV

Jelte S. Steen, Gerald Knizia and Johannes E. M. N. Klein

Angew Chem Int Ed, 2019, 58, 13133
DOI: 10.1002/anie.201906658

Revving up a Designed Copper Nitrite Reductase Using Noncoded Active Site Ligands

Winston C. Pitts, Aniruddha Deb, James E. Penner-Hahn and Vincent L. Pecoraro

ACS Catal., 2024, 14, 4362
DOI: 10.1021/acscatal.3c06159

Flash Communication: Boron K-edge XAS and TDDFT Studies of Covalent Metal–Ligand Bonding in Ni(C2B9H11)2

Hannah M. Hansen, Palak Garg, Jacob J. Schuely, Mai Yer Yang, Omar K. Farha, Jason M. Keith and Scott R. Daly

Organometallics, 2025, 44, 1624
DOI: 10.1021/acs.organomet.5c00121