The DOI matches its Crossref record; 88 of the 88 references it cites were found in a registry or an index.
Molecular Anions
Abstract
The experimental and theoretical study of molecular anions has undergone explosive growth over the past 40 years. Advances in techniques used to generate anions in appreciable numbers as well as new ion-storage, ion-optics, and laser spectroscopic tools have been key on the experimental front. Theoretical developments on the electronic structure and molecular dynamics fronts now allow one to achieve higher accuracy and to study electronically metastable states, thus bringing theory in close collaboration with experiment in this field. In this article, many of the experimental and theoretical challenges specific to studying molecular anions are discussed. Results from many research groups on several classes of molecular anions are overviewed, and both literature citations and active (in online html and pdf versions) links to numerous contributing scientists' Web sites are provided. Specific focus is made on the following families of anions: dipole-bound, zwitterion-bound, double-Rydberg, multiply charged, metastable, cluster-based, and biological anions. In discussing each kind of anion, emphasis is placed on the structural, energetic, spectroscopic, and chemical-reactivity characteristics that make these anions novel, interesting, and important.
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
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
CRC Handbook of Chemistry and Physics
(2016) · CRC Press eBooks · doi:10.1201/9781315380476 · Cited by 13,921
Density-functional theory of atoms and molecules
Patterson, J. D. (1989) · Annals of Nuclear Energy · doi:10.1016/0306-4549(89)90016-9 · Cited by 12,545
A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
Roos, B. O., Taylor, P. R., & Sigbahn, P. E. M. (1980) · Chemical Physics · doi:10.1016/0301-0104(80)80045-0 · Cited by 3,983
Stanton, J. F., & Bartlett, R. J. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464746 · Cited by 2,599
Encyclopedia of Computational Chemistry
Horn, A., & Lanig, H. (1999) · Journal of Molecular Modeling · doi:10.1007/s0089490050141 · Cited by 2,511
Peptide and protein sequence analysis by electron transfer dissociation mass spectrometry
Syka, J. E. P., Coon, J. J., Schroeder, M. J., Shabanowitz, J., & Hunt, D. F. (2004) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0402700101 · Cited by 2,370
Resonant Formation of DNA Strand Breaks by Low-Energy (3 to 20 eV) Electrons
Boudaı̈ffa, B., Cloutier, P., Hunting, D., Huels, M. A., & Sanche, L. (2000) · Science · doi:10.1126/science.287.5458.1658 · Cited by 2,262
Electron Capture Dissociation of Multiply Charged Protein Cations. A Nonergodic Process
Zubarev, R. A., Kelleher, N. L., & McLafferty, F. W. (1998) · Journal of the American Chemical Society · doi:10.1021/ja973478k · Cited by 1,881
Density Functional Methods in Chemistry
(1991) · Springer eBooks · doi:10.1007/978-1-4612-3136-3 · Cited by 1,615
Binding energies in atomic negative ions
Hotop, H., & Lineberger, W. C. (1975) · Journal of Physical and Chemical Reference Data · doi:10.1063/1.555524 · Cited by 1,539
Zhao, Y., & Truhlar, D. G. (2006) · The Journal of Physical Chemistry A · doi:10.1021/jp066479k · Cited by 1,316
Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations
Rienstra-Kiracofe, J. C., Tschumper, G. S., Schaefer, H. F., Nandi, S., & Ellison, G. B. (2002) · Chemical Reviews · doi:10.1021/cr990044u · Cited by 1,258
Equations-of-Motion Method and the Extended Shell Model
ROWE, D. J. (1968) · Reviews of Modern Physics · doi:10.1103/revmodphys.40.153 · Cited by 1,127
Application of systematic sequences of wave functions to the water dimer
Feller, D. (1992) · The Journal of Chemical Physics · doi:10.1063/1.462652 · Cited by 1,122
On the calculation of multiplet energies by the hartree-fock-slater method
Ziegler, T., Rauk, A., & Baerends, E. J. (1977) · Theoretica Chimica Acta · doi:10.1007/bf00551551 · Cited by 1,003
Electron Capture Dissociation for Structural Characterization of Multiply Charged Protein Cations
Zubarev, R. A., Horn, D. M., Fridriksson, E. K., Kelleher, N. L., Kruger, N. A., Lewis, M. A., Carpenter, B. K., & McLafferty, F. W. (2000) · Analytical Chemistry · doi:10.1021/ac990811p · Cited by 986
Successive Approximations by the Rayleigh-Ritz Variation Method
MacDonald, J. K. L. (1933) · Physical Review · doi:10.1103/physrev.43.830 · Cited by 743
Resonances in Electron Impact on Atoms
Schulz, G. J. (1973) · Reviews of Modern Physics · doi:10.1103/revmodphys.45.378 · Cited by 717
Clusters: Structure, Energetics, and Dynamics of Intermediate States of Matter
Castleman, A. W., & Bowen, K. H. (1996) · The Journal of Physical Chemistry · doi:10.1021/jp961030k · Cited by 704
Basis-set convergence of the energy in molecular Hartree–Fock calculations
Asger Halkier, A., Helgaker, T. U., Jørgensen, P., Klopper, W., & Olsen, J. (1999) · Chemical Physics Letters · doi:10.1016/s0009-2614(99)00179-7 · Cited by 692
Equation of motion coupled cluster method for electron attachment
Nooijen, M., & Bartlett, R. J. (1995) · The Journal of Chemical Physics · doi:10.1063/1.468592 · Cited by 618
Parr, R. G. (1983) · Annual Review of Physical Chemistry · doi:10.1146/annurev.pc.34.100183.003215 · Cited by 609
All-Metal Aromaticity and Antiaromaticity
Boldyrev, A. I., & Wang, L.-S. (2005) · Chemical Reviews · doi:10.1021/cr030091t · Cited by 608
Photoelectron spectroscopy of metal cluster anions: Cu−n, Ag−n, and Au−n
Ho, J., Ervin, K. M., & Lineberger, W. C. (1990) · The Journal of Chemical Physics · doi:10.1063/1.459475 · Cited by 592
Ti 8 C 12 + -Metallo-Carbohedrenes: A New Class of Molecular Clusters?
Guo, B. C., Kerns, K. P., & Castleman, A. W. (1992) · Science · doi:10.1126/science.255.5050.1411 · Cited by 570
Zubarev, R. A., Kruger, N. A., Fridriksson, E. K., Lewis, M. A., Horn, D. M., Carpenter, B. K., & McLafferty, F. W. (1999) · Journal of the American Chemical Society · doi:10.1021/ja981948k · Cited by 557
Binding Energies in Atomic Negative Ions: III
Andersen, T., Haugen, H. K., & Hotop, H. (1999) · Journal of Physical and Chemical Reference Data · doi:10.1063/1.556047 · Cited by 553
Numerische Berechnung der 2S-Terme von Ortho- und Par-Helium
Hylleraas, E. A., & Undheim, B. (1930) · The European Physical Journal A · doi:10.1007/bf01397263 · Cited by 528
Kelly, H. P. (1963) · Physical Review · doi:10.1103/physrev.131.684 · Cited by 527
Photoelectron spectroscopy of hydrated electron cluster anions, (H2O)−n=2–69
Coe, J. V., Lee, G. H., Eaton, J. G., Arnold, S. T., Sarkas, H. W., Bowen, K. H., Ludewigt, C., Haberland, H., & Worsnop, D. R. (1990) · The Journal of Chemical Physics · doi:10.1063/1.457805 · Cited by 524
Importance of Angular Correlations between Atomic Electrons
Schwartz, C. (1962) · Physical Review · doi:10.1103/physrev.126.1015 · Cited by 523
Second Quantization-Based Methods in Quantum Chemistry
(1981) · Elsevier eBooks · doi:10.1016/b978-0-12-390220-7.x5001-6 · Cited by 515
Applications of Post‐Hartree—Fock Methods: A Tutorial
Bartlett, R. J., & Stanton, J. F. (1994) · Reviews in Computational Chemistry · doi:10.1002/9780470125823.ch2 · Cited by 453
Unified Molecular Picture of the Surfaces of Aqueous Acid, Base, and Salt Solutions
Mucha, M., Frigato, T., Levering, L. M., Allen, H. C., Tobias, D. J., Dang, L. X., & Jungwirth, P. (2005) · The Journal of Physical Chemistry B · doi:10.1021/jp0445730 · Cited by 432
Spectroscopic Determination of the OH − Solvation Shell in the OH − ·(H 2 O) n Clusters
Robertson, W. H., Diken, E. G., Price, E. A., Shin, J.-W., & Johnson, M. A. (2003) · Science · doi:10.1126/science.1080695 · Cited by 398
Temporary anion states of polyatomic hydrocarbons
Jordan, K. D., & Burrow, P. D. (1987) · Chemical Reviews · doi:10.1021/cr00079a005 · Cited by 370
Ab initio electronic structure of anions
Simons, J., & Jordan, K. D. (1987) · Chemical Reviews · doi:10.1021/cr00079a004 · Cited by 360
Self-citationLi, X., Wang, L.-S., Boldyrev, A. I., & Simons, J. (1999) · Journal of the American Chemical Society · doi:10.1021/ja9906204 · Cited by 355
Self-citationCOUPLED-CLUSTER THEORY: AN OVERVIEW OF RECENT DEVELOPMENTS
Bartlett, R. J. (1995) · Advanced Series in Physical Chemistry · doi:10.1142/9789812832115_0005 · Cited by 351
Toward a general mechanism of electron capture dissociation
Syrstad, E. A., & Turecček, F. (2005) · Journal of the American Society for Mass Spectrometry · doi:10.1016/j.jasms.2004.11.001 · Cited by 325
Jordan, K. D., & Wang, F. (2003) · Annual Review of Physical Chemistry · doi:10.1146/annurev.physchem.54.011002.103851 · Cited by 310
Theory of electron affinities of small molecules
Simons, J., & Smith, W. D. (1973) · The Journal of Chemical Physics · doi:10.1063/1.1679074 · Cited by 287
Self-citationMultiply Charged Anions in the Gas Phase
Dreuw, A., & Cederbaum, L. S. (2002) · Chemical Reviews · doi:10.1021/cr0104227 · Cited by 266
Ervin, K. M., Anusiewicz, I., Skurski, P., Simons, J., & Lineberger, W. C. (2003) · The Journal of Physical Chemistry A · doi:10.1021/jp0357323 · Cited by 264
Self-citationZubarev, R. A., Haselmann, K. F., Budnik, B., Kjeldsen, F., & Jensen, F. (2002) · European Journal of Mass Spectrometry · doi:10.1255/ejms.517 · Cited by 248
Photodetachment and photofragmentation studies of semiconductor cluster anions
Liu, Y., Zhang, Q.-L., Tittel, F. K., Curl, R. F., & Smalley, R. E. (1986) · The Journal of Chemical Physics · doi:10.1063/1.451332 · Cited by 244
Fundamental properties of bulk water from cluster ion data
Coe, J. V. (2001) · International Reviews in Physical Chemistry · doi:10.1080/01442350010008589 · Cited by 209
Reactivity of Atomic Gold Anions toward Oxygen and the Oxidation of CO: Experiment and Theory
Kimble, M. L., Castleman, Mitrić, R., Bürgel, C., & Bonačić-Koutecký, V. (2004) · Journal of the American Chemical Society · doi:10.1021/ja030544b · Cited by 200
Probing Free Multiply Charged Anions Using Photodetachment Photoelectron Spectroscopy
Wang, L.-S., & Wang, X.-B. (2000) · The Journal of Physical Chemistry A · doi:10.1021/jp9940093 · Cited by 199
Wang, L.-S., Ding, C.-F., Wang, X.-B., & Nicholas, J. B. (1998) · Physical Review Letters · doi:10.1103/physrevlett.81.2667 · Cited by 185
Tetracoordinated Planar Carbon in Pentaatomic Molecules
Boldyrev, A. I., & Simons, J. (1998) · Journal of the American Chemical Society · doi:10.1021/ja981236u · Cited by 182
Self-citationEvidence for the High-Energy (Collinear) van der Waals Isomer of the Acetonitrile Dimer
Dessent, C. E. H., Kim, J., & Johnson, M. A. (1996) · The Journal of Physical Chemistry · doi:10.1021/jp953184q · Cited by 169
Precursor of the I aq− charge-transfer-to-solvent (CTTS) band in I−⋅(H2O)n clusters
Serxner, D., Dessent, C. E. H., & Johnson, M. A. (1996) · The Journal of Chemical Physics · doi:10.1063/1.472529 · Cited by 167
Electron Transfer versus Proton Transfer in Gas-Phase Ion/Ion Reactions of Polyprotonated Peptides
Gunawardena, H. P., He, M., Chrisman, P. A., Pitteri, S. J., Hogan, J. M., Hodges, B. D. M., & McLuckey, S. A. (2005) · Journal of the American Chemical Society · doi:10.1021/ja0526057 · Cited by 160
Electronic Structure of Dipole-Bound Anions
Gutowski, M. S., Jordan, K. D., & Skurski, P. (1998) · The Journal of Physical Chemistry A · doi:10.1021/jp980123u · Cited by 157
Olsen, J., & Jørgensen, P. (1995) · Advanced series in physical chemistry · doi:10.1142/9789812832115_0002 · Cited by 144
Numerical Hartree–Fock–Slater calculations on diatomic molecules
Becke, A. D. (1982) · The Journal of Chemical Physics · doi:10.1063/1.442958 · Cited by 141
McDowell, S. A. C., Amos, R. D., & Handy, N. C. (1995) · Chemical Physics Letters · doi:10.1016/0009-2614(95)00076-g · Cited by 124
Pitteri, S. J., Chrisman, P. A., & McLuckey, S. A. (2005) · Analytical Chemistry · doi:10.1021/ac050666h · Cited by 124
A theoretical study of the valence- and dipole-bound states of the nitromethane anion
Gutsev, G. L., & Bartlett, R. J. (1996) · The Journal of Chemical Physics · doi:10.1063/1.472657 · Cited by 123
Nachtigall, P., Jordan, K. D., Smith, A. P., et al. (1996) · The Journal of Chemical Physics · doi:10.1063/1.470885 · Cited by 112
Thymine excision from DNA by subexcitation electrons
Abdoul‐Carime, H., Gohlke, S., Fischbach, E., Scheike, J. A., & Illenberger, E. (2004) · Chemical Physics Letters · doi:10.1016/j.cplett.2004.02.022 · Cited by 109
Anusiewicz, I., Berdys‐Kochańska, J., & Simons, J. (2005) · The Journal of Physical Chemistry A · doi:10.1021/jp050218d · Cited by 94
Self-citationSolvation and Ionization near a Dielectric Surface
Makov, G., & Nitzan, A. (1994) · The Journal of Physical Chemistry · doi:10.1021/j100064a030 · Cited by 86
Competitive Na+ and Rb+ Binding in the Minor Groove of DNA
Marincola, F. C., Denisov, V. P., & Halle, B. (2004) · Journal of the American Chemical Society · doi:10.1021/ja049930z · Cited by 86
Dessent, C. E. H., Kim, J., & Johnson, M. A. (1998) · Accounts of Chemical Research · doi:10.1021/ar950061f · Cited by 78
Sequence Dependence of Charge Transport Properties of DNA
Noguès, C., Cohen, S., Daube, S. S., Apter, N., & Naaman, R. (2006) · The Journal of Physical Chemistry B · doi:10.1021/jp060870o · Cited by 72
Electron transfer dissociation of multiply protonated and fixed charge disulfide linked polypeptides
Gunawardena, H. P., Gorenstein, L., Erickson, D. E., Xia, Y., & McLuckey, S. A. (2007) · International Journal of Mass Spectrometry · doi:10.1016/j.ijms.2007.01.017 · Cited by 70
Valeev, E. F., Allen, W. D., Hernandez, R., Sherrill, C. D., & Schaefer, H. F. (2003) · The Journal of Chemical Physics · doi:10.1063/1.1566744 · Cited by 70
Energy-Shift Theory of Low-Lying Excited Electronic States of Molecules
Simons, J. (1972) · The Journal of Chemical Physics · doi:10.1063/1.1678845 · Cited by 60
Self-citationThe Role of Excited Rydberg States in Electron Transfer Dissociation
Sobczyk, M. A., & Simons, J. (2006) · The Journal of Physical Chemistry B · doi:10.1021/jp0604701 · Cited by 59
Self-citationTheoretical study of the dipole-bound anion (HF)2−
Gutowski, M. S., & Skurski, P. (1997) · The Journal of Chemical Physics · doi:10.1063/1.474654 · Cited by 56
Coupled cluster calculations with numerical orbitals for excited states of polar anions
Adamowicz, L., & Bartlett, R. J. (1985) · The Journal of Chemical Physics · doi:10.1063/1.449576 · Cited by 54
Theoretical study of the dipole-bound anion (H2O…NH3)−
Skurski, P., & Gutowski, M. S. (1998) · The Journal of Chemical Physics · doi:10.1063/1.476037 · Cited by 50
Sobczyk, M. A., & Simons, J. (2006) · International Journal of Mass Spectrometry · doi:10.1016/j.ijms.2006.05.003 · Cited by 50
Self-citationAn ab initio study of the betaine anion–dipole-bound anionic state of a model zwitterion system
Rak, J., Skurski, P., & Gutowski, M. S. (2001) · The Journal of Chemical Physics · doi:10.1063/1.1373689 · Cited by 49
Modified rotationally adiabatic model for rotational autoionization of dipole-bound molecular anions
Simons, J. (1989) · The Journal of Chemical Physics · doi:10.1063/1.457354 · Cited by 42
Self-citationStructure and intermolecular motions of the water dimer anion
Bouteiller, Y., Desfrançois, C., Abdoul‐Carime, H., & Schermann, J. P. (1996) · The Journal of Chemical Physics · doi:10.1063/1.472994 · Cited by 39
Blades, A. T., Ho, Y., & Kebarle, P. (1996) · Journal of the American Chemical Society · doi:10.1021/ja952169w · Cited by 32
Dipole-Bound Anion of the HNNH3 Isomer of Hydrazine. An Ab Initio Study
Skurski, P., Gutowski, M. S., & Simons, J. (1999) · The Journal of Physical Chemistry A · doi:10.1021/jp9836776 · Cited by 31
Self-citationElectron binding energies in linear dipole-bound (HCN)− (n=2–5) anions
Gutowski, M. S., & Skurski, P. (1999) · Chemical Physics Letters · doi:10.1016/s0009-2614(98)01377-3 · Cited by 27
An excess electron binding to the `purple' zwitterion quinonoid
Sawicka, A., Skurski, P., & Simons, J. (2002) · Chemical Physics Letters · doi:10.1016/s0009-2614(02)01078-3 · Cited by 26
Self-citationTheoretical study of the quadrupole-bound anion (BeO)2−
Gutowski, M. S., & Skurski, P. (1999) · Chemical Physics Letters · doi:10.1016/s0009-2614(99)00172-4 · Cited by 23
Akin, F. A., & Ervin, K. M. (2005) · The Journal of Physical Chemistry A · doi:10.1021/jp0540454 · Cited by 14
Dissociative Electron Attachment to Di-tert-butylperoxide, Artemisinin, and β-Artemether
Modelli, A., & Galasso, V. (2007) · The Journal of Physical Chemistry A · doi:10.1021/jp072720z · Cited by 11
Ab initio study of the dipole-bound anion (H2O…HCl)−
Skurski, P., & Gutowski, M. S. (1999) · The Journal of Chemical Physics · doi:10.1063/1.479614 · Cited by 8
Boldyrev, A. I., & Simons, J. (1997) · Journal of the American Chemical Society · doi:10.1021/ja964063m · Cited by 6
Self-citation
Cited by
Winkler, J. R., & Gray, H. B. (2014) · Journal of the American Chemical Society · doi:10.1021/ja500215j · Cited by 306
Metadata
- Authors
- Simons, J.
- Venue
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Published
- 2008-07-01
- Volume
- 112
- Issue
- 29
- Pages
- 6401-6511
- ISSN
- 1089-5639 (ISSN-L)
- 1520-5215
- OpenAlex
- W4211182504
- Cited by
- 417
- References
- 88
- FWCI
- 15.28
- 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
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.