1,8-Bis(phenylethynyl)anthracene - gas and solid phase structures.
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Summary
The molecular structure of 1,8-BPEA was determined using a combination of gas-phase electron diffraction, mass spectrometry, quantum chemical calculations (QC), and single-crystal X-ray diffraction (XRD).
- Type
- article
- Published
- 2015-08-11
- Cited by
- 10
- References
- 42
- OpenAlex
- https://openalex.org/W1793908925
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:2052717
Keywords
Chemistry, Anthracene, Conformational isomerism, Crystallography, Molecule
References
- Anharmonic Corrections to Structural Experiment Data
- Calculation of shrinkage corrections in harmonic approximation
- Oligonucleotides containing new fluorescent 1-phenylethynylpyrene and 9,10-bis(phenylethynyl)anthracene uridine-2′-carbamates: synthesis and properties
- Local centrifugal distortions caused by internal motions of molecules
- Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study
- Organic electronics: Introduction
- Basis set effects on the calculated bonding energies of neutral benzene dimers: importance of diffuse polarization functions
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- Die Struktur des Benzoldimers – die Dynamik gewinnt
- A long-range correction scheme for generalized-gradient-approximation exchange functionals
- Tests of functionals for systems with fractional electron number.
- Substitution effects on the frontier orbitals of 3,4,9,10-perylene bis(dicarboximide). A computational quantum chemistry study with insights into the electronic properties of organic semiconductors
- Synthesis and Electro-Optical Properties of 9,10-Substituted Anthracene Derivatives for Flexible OLED Devices
- Dialkylaluminium-, -gallium-, and -indium-based poly-Lewis acids with a 1,8-diethynylanthracene backbone.
- Cruciforms: Assembling Single Crystal Micro- and Nanostructures from One to Three Dimensions and Their Applications in Organic Field-Effect Transistors
- Intermolecular potentials for the water-benzene and the benzene-benzene systems calculated in an ab initio SCFCI approximation
- The rotational spectrum, structure and dynamics of a benzene dimer
- Harmonic Force Fields from Scaled SCF Calculations: Program ASYM40.
- Aufklärung des Bildungsmechanismus von Wirt‐Gast‐Komplexen und Identifizierung von Intermediaten mithilfe von NMR‐Titration und Diffusions‐NMR‐Spektroskopie
- Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
Cited by
- Fluoride complexation by bidentate silicon Lewis acids.
- Planar Anthracene-Acetylene Frameworks as a Stereogenic Motif.
- Gas-phase structure of 1,8-bis[(trimethylsilyl)ethynyl]anthracene: cog-wheel-type vs. independent internal rotation and influence of dispersion interactions.
- Intramolecular π-π Interactions in Flexibly Linked Partially Fluorinated Bisarenes in the Gas Phase.
- Intramolekulare π-π-Wechselwirkungen in flexibel verbrückten, teilweise fluorierten Bisarenen in der Gasphase
- 1,4,5,8-Tetraethynylanthracene - Synthesis, UV/Vis Absorption Spectroscopy and its Application as Building Block for Tetradentate Acceptor Molecules
- Advances in Kumada–Tamao–Corriu cross-coupling reaction: an update
- Aryl–Aryl Interactions in (Aryl‐Perhalogenated) 1,2‐Diaryldisilanes
- Ga···C Triel Bonds—Why They Are Not Strong Enough to Change Trigonal Configuration into Tetrahedral One: DFT Calculations on Dimers That Occur in Crystal Structures
- Molecules with Ten or More Carbon Atoms
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