Topic
Pentagonal prism
About: Pentagonal prism is a research topic. Over the lifetime, 299 publications have been published within this topic receiving 1339 citations.
Papers published on a yearly basis
Papers
TL;DR: In this paper, an efficient mixed molecular dynamics/quantum mechanics model was applied to the water cluster system and the use of the MP2 method and correlation consistent basis sets, with appropriate correction for BSSE, allowed for the accurate calculation of electronic and free energies for the formation of 2−10 water molecules.
Abstract: An efficient mixed molecular dynamics/quantum mechanics model has been applied to the water cluster system. The use of the MP2 method and correlation consistent basis sets, with appropriate correction for BSSE, allows for the accurate calculation of electronic and free energies for the formation of clusters of 2−10 water molecules. This approach reveals new low energy conformers for (H2O)n=7,9,10. The water heptamer conformers comprise five different structural motifs ranging from a three-dimensional prism to a quasi-planar book structure. A prism-like structure is favored energetically at low temperatures, but a chair-like structure is the global Gibbs free energy minimum past 200 K. The water nonamers exhibit less complexity with all the low energy structures shaped like a prism. The decamer has 30 conformers that are within 2 kcal/mol of the Gibbs free energy minimum structure at 298 K. These structures are categorized into four conformer classes, and a pentagonal prism is the most stable structure fro...
231 citations
TL;DR: The single-crystal X-ray structure of bifluoride encapsulated within a Cd10L15 complex is reported and solution state data for J-coupling through a CH···F(-) hydrogen bond indicating the strength of these interactions in solution.
Abstract: Different anionic templates act to give rise to four distinct CdII-based architectures: a Cd2L3 helicate, a Cd8L12 distorted cuboid, a Cd10L15 pentagonal prism, and a Cd12L18 hexagonal prism, which respond to both anionic and cationic components. Interconversions between architectures are driven by the addition of anions that bind more strongly within a given product framework. The addition of FeII prompted metal exchange and transformation to a Fe4L6 tetrahedron or a Fe10L15 pentagonal prism, depending on the anionic templates present. The equilibrium between the Cd12L18 prism and the Cd2L3 triple helicate displayed concentration dependence, with higher concentrations favoring the prism. The Cd12L18 structure serves as an intermediate en route to a hexafluoroarsenate-templated Cd10L15 complex, whereby the structural features of the hexagonal prism preorganize the system to form the structurally related pentagonal prism. In addition to the interconversion pathways investigated, we also report the single-c...
85 citations
TL;DR: In this article, two water-soluble metal-organic architectures, a tetrahedron and a pentagonal prism, were selectively assembled from the same building blocks under different reaction conditions.
Abstract: Survival of the fittest: Two water-soluble metal-organic architectures, a tetrahedron and a pentagonal prism, were selectively assembled from the same building blocks under different reaction conditions. In a mixture of the two, the prism was disassembled upon addition of 4-methoxyaniline to form a mononuclear complex, while leaving the more stable tetrahedral structure intact.
73 citations
Patent•
12 Aug 2015
TL;DR: In this article, a pentagonal prism composite soil pile machine is presented, where the front left portion of a drive motor is fixed on the lower portion of first cross arm through a first vertical arm, the front right portion of the drive motor was fixed on a lower part of a second cross arm via a second vertical arm and the back left portion was fixed in the lower of a third cross arm by a third vertical arm.
Abstract: Provided is a pentagonal prism composite soil pile machine. The front left portion of a drive motor is fixed on the lower portion of a first cross arm through a first vertical arm, the front right portion of the drive motor is fixed on the lower portion of a second cross arm through a second vertical arm, the back left portion of the drive motor is fixed on the lower portion of a third cross arm through a third vertical arm, and the back right portion of the drive motor is fixed on the lower portion of a fourth cross arm through a fourth vertical arm. An outer ring of a pentagonal steel frame is in the shape of a regular pentagon, the lower portion of the pentagonal steel frame is provided with first cutting knifes, and the five inner corners of the pentagonal steel frame are each provided with multiple second cutting knifes.
42 citations
TL;DR: The observed absorption patterns in the OH stretching region are consistent with the theoretically predicted spectra of two structurally distinct isomers of exceptional stability: a drop-like cluster with a fully coordinated (interior) water molecule and an edge-sharing pentagonal prism cluster in which all atoms are on the surface.
Abstract: Water clusters with internally solvated water molecules are widespread models that mimic the local environment of the condensed phase. The appearance of stable (H2O)n cluster isomers having a fully coordinated interior molecule has been theoretically predicted to occur around the n = 20 size range. However, our current knowledge about the size regime in which those structures become energetically more stable has remained hypothetical from simulations in lieu of the absence of precisely size-resolved experimental measurements. Here we report size and isomer selective infrared (IR) spectra of (H2O)20 clusters tagged with a sodium atom by employing IR excitation modulated photoionization spectroscopy. The observed absorption patterns in the OH stretching region are consistent with the theoretically predicted spectra of two structurally distinct isomers of exceptional stability: a drop-like cluster with a fully coordinated (interior) water molecule and an edge-sharing pentagonal prism cluster in which all atoms are on the surface. The drop-like structure is the first experimentally detected water cluster exhibiting the local connectivity found in liquid water.
32 citations
Related Topics (5)
Performance Metrics
| Year | Papers |
|---|---|
| 2021 | 4 |
| 2020 | 4 |
| 2019 | 13 |
| 2018 | 8 |
| 2017 | 5 |
| 2016 | 14 |