The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Spectroscopic and Electronic Structure Studies of the Diamagnetic Side-On CuII-Superoxo Complex Cu(O2)[HB(3-R-5-iPrpz)3]: Antiferromagnetic Coupling versus Covalent Delocalization
Abstract
Magnetic, vibrational, and optical techniques are combined with density functional calculations to elucidate the electronic structure of the diamagnetic mononuclear side-on CuII-superoxo complex. The electronic nature of its lowest singlet/triplet states and the ground-state diamagnetism are explored. The triplet state is found to involve the interaction between the Cu xy and the superoxide pi v * orbitals, which are orthogonal to each other. The singlet ground state involves the interaction between the Cu xy and the in-plane superoxide pi v * orbitals, which have a large overlap and thus strong bonding. The ground-state singlet/triplet states are therefore fundamentally different in orbital origin and not appropriately described by an exchange model. The ground-state singlet is highly delocalized with no spin polarization.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Multicopper oxidases and oxygenases
Solomon, E. I., Sundaram, U. M., & Machonkin, T. E. (1996) · Chemical Reviews · doi:10.1021/cr950046o · Cited by 3,664
Self-citationNew insights into copper monooxygenases and peptide amidation: Structure, mechanism and function
Prigge, S. T., Mains, R. E., Eipper, B. A., & Amzel* **, L. M. (2000) · Cellular and Molecular Life Sciences · doi:10.1007/pl00000763 · Cited by 460
Cited by
Copper Active Sites in Biology
Solomon, E. I., Heppner, D. E., Johnston, E. M., Ginsbach, J. W., Cirera, J., Qayyum, M., Kieber-Emmons, M. T., Kjaergaard, C. H., Hadt, R. G., & Tian, L. (2014) · Chemical Reviews · doi:10.1021/cr400327t · Cited by 1,751
Self-citationReactivity of Dioxygen−Copper Systems
Lewis, E. A., & Tolman, W. B. (2004) · Chemical Reviews · doi:10.1021/cr020633r · Cited by 1,294
Dioxygen Binds End-On to Mononuclear Copper in a Precatalytic Enzyme Complex
Prigge, S. T., Eipper, B. A., Mains, R. E., & Amzel, L. M. (2004) · Science · doi:10.1126/science.1094583 · Cited by 419
Methane to Methanol: Structure–Activity Relationships for Cu-CHA
Pappas, D. K., Borfecchia, E., Dyballa, M., Pankin, I. A., Lomachenko, K. A., Martini, A., Signorile, M., Teketel, S., Arstad, B., Berlier, G., et al. (2017) · Journal of the American Chemical Society · doi:10.1021/jacs.7b06472 · Cited by 371
Synthetic Fe/Cu Complexes: Toward Understanding Heme-Copper Oxidase Structure and Function
Adam, S. M., Wijeratne, G. B., Rogler, P. J., Diaz, D. E., Quist, D. A., Liu, J. J., & Karlin, K. D. (2018) · Chemical Reviews · doi:10.1021/acs.chemrev.8b00074 · Cited by 264
Metadata
- Authors
- Chen, P., Root, D. E., Campochiaro, C., Fujisawa, K., & Solomon, E. I.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2002-12-13
- Volume
- 125
- Issue
- 2
- Pages
- 466-474
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2078349137
- Cited by
- 159
- References
- 2
- FWCI
- 6.17
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Spectroscopic and Electronic Structure Studies of the Diamagnetic Side-On CuII-Superoxo Complex Cu(O2)[HB(3-R-5-iPrpz)3]: Antiferromagnetic Coupling versus Covalent Delocalization. https://app.cochat.ai/papers/10.1021/ja020969i
- The paper
- Chen, P., Root, D. E., Campochiaro, C., Fujisawa, K., & Solomon, E. I. (2003). Spectroscopic and Electronic Structure Studies of the Diamagnetic Side-On CuII-Superoxo Complex Cu(O2)[HB(3-R-5-iPrpz)3]: Antiferromagnetic Coupling versus Covalent Delocalization. Journal of the American Chemical Society. https://doi.org/10.1021/ja020969i
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
