Equilibrium gas-phase structures of sodium fluoride, bromide, and iodide monomers and dimers.
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Summary
Reanalysis of gas electron diffraction data collected earlier has been undertaken for each of these molecules using the EXPRESS method to yield experimental equilibrium structures that are in good agreement with those from high-level core-valence ab initio calculations and are substantially more precise than those obtained in previous structural studies.
- Type
- article
- Published
- 2014-03-13
- Cited by
- 8
- References
- 67
- Access
- Open access
- OpenAlex
- https://openalex.org/W24552540
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:21841648
Keywords
Art, Humanities
References
- Anharmonic Corrections to Structural Experiment Data
- The characterization of high-temperature vapors
- Gaussian Basis Sets for Molecular Calculations
- A variational treatment of the effects of vibrational anharmonicity on gas-phase electron diffraction intensities: Part I. Molecular scattering function
- Mass Spectrum of Lithium Iodide
- The molecular structure of tetra-tert-butyldiphosphine: an extremely distorted, sterically crowded molecule.
- Calculation of shrinkage corrections in harmonic approximation
- Calculation of the Energies of Gaseous Alkali Halide Dimer Molecules
- Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions
- Structure and Calculation of the Binding Energy of Gaseous Alkali Halide Dimers
- Local centrifugal distortions caused by internal motions of molecules
- MP2 energy evaluation by direct methods
- Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18
- Hyperfine spectrum of NaF
- Pure rotational spectroscopy of potassium chloride, KCl, up to 930 GHz and isotopically invariant analysis of KCl and NaCl☆
- Tetraborane(10), B4H10: structures in gaseous and crystalline phases
- Advances in Molecular Structure Research. Volume 5 Edited by Magdolna Hargittai and István Hargittai (Hungarian Academy of Sciences). JAI Press: Stamford, CT. 1999. x + 390 pp. $115. ISBN 0-7623-0555-X.
- Ab initio studies of small sodium–sodium halide clusters, NanCln and NanCln−1 (n≤4)
- Molecular Structure of Lithium Chloride Dimer. Thermodynamic Functions of Li2X2 (X = Cl, Br, I)
- Polymeric Gaseous Molecules in the Vaporization of Alkali Halides
Cited by
- The HgF2 Ionic Switch: A Triumph of Electrostatics against Relativistic Odds.
- Molecular line lists: The ro-vibrational spectra of NaF and KF
- Revised radii of the univalent Cu, Ag, Au and Tl cations.
- Difluorocarbene Generation from TMSCF3: Kinetics and Mechanism of NaI-Mediated, and Si-Induced, Anionic Chain Reactions.
- In Situ Studies of Arylboronic Acids/Esters and R3SiCF3 Reagents: Kinetics, Speciation, and Dysfunction at the Carbanion–Ate Interface
- Inorganic Molecules without Carbon Atoms
- Early History of X-Ray Crystallography
- Analysis of Melting Phenomena of the Alkali Halides: What Causes the Low Melting Points of the Lithium Halides?
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