| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Havenith, Remco W. A.
University of Groningen
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (22/22 displayed)
- 2024Lattice Dynamics and Thermoelectric Properties of 2D LiAlTe 2 , LiGaTe 2 , and LiInTe 2 Monolayerscitations
- 2024Lattice Dynamics and Thermoelectric Properties of 2D LiAlTe2, LiGaTe2, and LiInTe2 Monolayerscitations
- 2023Spark Discharge Doping—Achieving Unprecedented Control over Aggregate Fraction and Backbone Ordering in Poly(3‐hexylthiophene) Solutionscitations
- 2022Strategies for Enhancing the Dielectric Constant of Organic Materialscitations
- 2022Strategies for Enhancing the Dielectric Constant of Organic Materialscitations
- 2021Amphipathic Side Chain of a Conjugated Polymer Optimizes Dopant Location toward Efficient N-Type Organic Thermoelectricscitations
- 2021Amphipathic Side Chain of a Conjugated Polymer Optimizes Dopant Location toward Efficient N-Type Organic Thermoelectricscitations
- 2020N-type organic thermoelectrics:demonstration of ZT > 0.3citations
- 2020How Ethylene Glycol Chains Enhance the Dielectric Constant of Organic Semiconductors:Molecular Origin and Frequency Dependencecitations
- 2020How Ethylene Glycol Chains Enhance the Dielectric Constant of Organic Semiconductorscitations
- 2020N-type organic thermoelectricscitations
- 2019Coverage-Controlled Polymorphism of H-Bonded Networks on Au(111)citations
- 2015Strategy for Enhancing the Dielectric Constant of Organic Semiconductors Without Sacrificing Charge Carrier Mobility and Solubilitycitations
- 2015Strategy for Enhancing the Dielectric Constant of Organic Semiconductors Without Sacrificing Charge Carrier Mobility and Solubility
- 2014Strategy for Enhancing the Electric Permittivity of Organic Semiconductors
- 2014Stabilizing cations in the backbones of conjugated polymerscitations
- 2014Stabilizing cations in the backbones of conjugated polymerscitations
- 2013Molecular flexibility and structural instabilities in crystalline L-methioninecitations
- 2007On the structure of cross-conjugated 2,3-diphenylbutadienecitations
- 2002Ring current and electron delocalisation in an all-metal cluster, Al42-citations
- 2000Infinite, undulating chains of intermolecularly hydrogen bonded (E,E)-2,2-dimethylcyclohexane-1,3-dione dioximes in the solid state. A single crystal X-ray, charge density distribution and spectroscopic studycitations
- 2000Infinite, undulating chains of intermolecularly hydrogen bonded (E,E)-2,2-dimethylcyclohexane-1,3-dione dioximes in the solid state. A single crystal X-ray, charge density distribution and spectroscopic studycitations
Places of action
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article
Infinite, undulating chains of intermolecularly hydrogen bonded (E,E)-2,2-dimethylcyclohexane-1,3-dione dioximes in the solid state. A single crystal X-ray, charge density distribution and spectroscopic study
Abstract
<p>In the solid state (E,E)-2,2-dimethylcyclohexane-1,3-dione dioxime (1) and (E,E)-2,2,5,5-tetramethylcyclohexane-1,3-dione dioxime (2) give infinite, undulating polymer-like chains due to intermolecular dimeric oxime hydrogen bonding [R<sub>2</sub><sup>2</sup>(6) motif with C<sub>i</sub>-symmetry; single crystal X-ray analyses]. Configurational stereoisomerism of the oxime groups is prevented by the two methyl groups at the 2-positions. Consequently, the oxime groups of both 1 and 2 are unequivocally defined and show no disorder. Whereas 1 has molecular C<sub>s</sub>-symmetry, compound 2 lacks symmetry and two distinct intermolecular dimeric oxime hydrogen bonds are found. In the case of 2, its charge density distribution was determined from high resolution X-ray data and subjected to a Bader type topological analysis giving for the first time insight into the chemical bonding of this dimeric intermolecular oxime hydrogen-bonding motif. The multipole populations and the properties of the (3, -1) bond critical points confirm the lack of symmetry for 2. All located (3, -1) bond critical points except those of the hydrogen bonds have negative values for the Laplacians ▽<sup>2</sup>ρ(r<sub>p</sub>) in line with covalent bonding. Notwithstanding, the description of the two distinct O-N bonds of 2 is not fully adequate; to obtain negative Laplacian values at their bond critical points, hexadecapole parameters (l=4) for C, N and O had to be used in the refinement. By comparison with B3LYP/6-311++G** results on acetone oxime it is shown that this anomaly can be attributed to deviations in the experimentally determined charge density distribution of the two distinct O-N bonds of 2. The positive Laplacians for the hydrogen bonds agree with closed shell interactions. In addition, the spectroscopic properties of the intermolecular oxime hydrogen bonding R<sub>2</sub><sup>2</sup>(6) motifs of 1 and 2 were studied using <sup>13</sup>C CP/MAS NMR and IR and Raman spectroscopy. <sup>13</sup>C CP/MAS NMR showed that for 1 and 2 one and two distinct oxime hydrogen bonding motifs, respectively, are discernible. From their IR and Raman spectra unequivocal proof was obtained that the R<sub>2</sub><sup>2</sup>(6) motifs possess local C<sub>i</sub>-symmetry.</p>