8 research outputs found
Pentadienyl Complexes of Alkali Metals: Structure and Bonding
A systematic density functional study of the structure and bonding in the alkali-metal pentadienyl complexes C5H7E (E = Li-Cs) and their analogues derived from the 2,4-dimethylpentadienyl ligand is performed. The bonding in these structures has been analyzed in some detail with reference to molecular orbital analysis, and energy partition analysis, obtained by density functional calculations. An energy decomposition analysis indicates that the electrostatic interaction is the main factor to be considered in the stabilization of the gas-phase complexes we have studied. The stability of the U-shaped minimum energy structure decreases (the potential energy surface becomes more shallow) as the metal atom gets larger. We trace this behavior to a weakening of the metal–ligand binding due to the increasing diffuseness of the metal p orbitals on going down group 1. A significant pyramidalization at the terminal carbons in the coordinate U-shaped structure correlates with the strength of the metal–ligand binding. Initial results for the structural preferences of the complexes in solution for the lithium pentadienyl complex are examined in view of contrary experimental data. There still remains plenty of work to be done in modeling metal complexes in solution, and we suggest a way forward
Overview of the instrumentation for the Dark Energy Spectroscopic Instrument
The Dark Energy Spectroscopic Instrument (DESI) embarked on an ambitious 5 yr survey in 2021 May to explore the nature of dark energy with spectroscopic measurements of 40 million galaxies and quasars. DESI will determine precise redshifts and employ the baryon acoustic oscillation method to measure distances from the nearby universe to beyond redshift z > 3.5, and employ redshift space distortions to measure the growth of structure and probe potential modifications to general relativity. We describe the significant instrumentation we developed to conduct the DESI survey. This includes: a wide-field, 3.°2 diameter prime-focus corrector; a focal plane system with 5020 fiber positioners on the 0.812 m diameter, aspheric focal surface; 10 continuous, high-efficiency fiber cable bundles that connect the focal plane to the spectrographs; and 10 identical spectrographs. Each spectrograph employs a pair of dichroics to split the light into three channels that together record the light from 360–980 nm with a spectral resolution that ranges from 2000–5000. We describe the science requirements, their connection to the technical requirements, the management of the project, and interfaces between subsystems. DESI was installed at the 4 m Mayall Telescope at Kitt Peak National Observatory and has achieved all of its performance goals. Some performance highlights include an rms positioner accuracy of better than 0.″1 and a median signal-to-noise ratio of 7 of the [O ii] doublet at 8 × 10−17 erg s−1 cm−2 in 1000 s for galaxies at z = 1.4–1.6. We conclude with additional highlights from the on-sky validation and commissioning, key successes, and lessons learned
Theoretical Analysis of the Smallest Carbon Cluster Containing a Planar Tetracoordinate Carbon
A series of mols., based on the smallest carbon cluster with one planar tetracoordinate carbon atom, C52-, are presented. To gain a better understanding about which electronic factors contribute to their stabilization, several global reactivity indexes, mol. scalar fields, and magnetic responses were calcd. The optimized bond lengths and the topol. anal. of the electron d. show that the central carbon atom in the parent dianion C52- has a planar local environment, and it is coordinated to four other carbon atoms. The bonding of the parent dianion with the metal cations is highly ionic. The magnetic properties show that the C52- derivs. are strongly diatropic and have a remarkable transferability of structural and electronic features from the anion to the salts. The theor. anal. suggests that the lithium salt, C5Li2, is the most plausible candidate for exptl. detection. [on SciFinder (R)
Synthesis and characterization of di-phenyl-tinIV-salicyliden-ortho-aminophenols: Analysis of in vitro antitumor/antioxidant activities and molecular structures
Overview of the Instrumentation for the Dark Energy Spectroscopic Instrument
International audienceThe Dark Energy Spectroscopic Instrument (DESI) has embarked on an ambitious five-year survey to explore the nature of dark energy with spectroscopy of 40 million galaxies and quasars. DESI will determine precise redshifts and employ the Baryon Acoustic Oscillation method to measure distances from the nearby universe to z > 3.5, as well as measure the growth of structure and probe potential modifications to general relativity. In this paper we describe the significant instrumentation we developed for the DESI survey. The new instrumentation includes a wide-field, 3.2-deg diameter prime-focus corrector that focuses the light onto 5020 robotic fiber positioners on the 0.812 m diameter, aspheric focal surface. The positioners and their fibers are divided among ten wedge-shaped petals. Each petal is connected to one of ten spectrographs via a contiguous, high-efficiency, nearly 50 m fiber cable bundle. The ten spectrographs each use a pair of dichroics to split the light into three channels that together record the light from 360 - 980 nm with a resolution of 2000 to 5000. We describe the science requirements, technical requirements on the instrumentation, and management of the project. DESI was installed at the 4-m Mayall telescope at Kitt Peak, and we also describe the facility upgrades to prepare for DESI and the installation and functional verification process. DESI has achieved all of its performance goals, and the DESI survey began in May 2021. Some performance highlights include RMS positioner accuracy better than 0.1", SNR per √(Å) > 0.5 for a z > 2 quasar with flux 0.28e-17 erg/s/cm^2/A at 380 nm in 4000s, and median SNR = 7 of the [OII] doublet at 8e-17 erg/s/cm^2 in a 1000s exposure for emission line galaxies at z = 1.4 - 1.6. We conclude with highlights from the on-sky validation and commissioning of the instrument, key successes, and lessons learned. (abridged
Overview of the Instrumentation for the Dark Energy Spectroscopic Instrument
International audienceThe Dark Energy Spectroscopic Instrument (DESI) has embarked on an ambitious five-year survey to explore the nature of dark energy with spectroscopy of 40 million galaxies and quasars. DESI will determine precise redshifts and employ the Baryon Acoustic Oscillation method to measure distances from the nearby universe to z > 3.5, as well as measure the growth of structure and probe potential modifications to general relativity. In this paper we describe the significant instrumentation we developed for the DESI survey. The new instrumentation includes a wide-field, 3.2-deg diameter prime-focus corrector that focuses the light onto 5020 robotic fiber positioners on the 0.812 m diameter, aspheric focal surface. The positioners and their fibers are divided among ten wedge-shaped petals. Each petal is connected to one of ten spectrographs via a contiguous, high-efficiency, nearly 50 m fiber cable bundle. The ten spectrographs each use a pair of dichroics to split the light into three channels that together record the light from 360 - 980 nm with a resolution of 2000 to 5000. We describe the science requirements, technical requirements on the instrumentation, and management of the project. DESI was installed at the 4-m Mayall telescope at Kitt Peak, and we also describe the facility upgrades to prepare for DESI and the installation and functional verification process. DESI has achieved all of its performance goals, and the DESI survey began in May 2021. Some performance highlights include RMS positioner accuracy better than 0.1", SNR per √(Å) > 0.5 for a z > 2 quasar with flux 0.28e-17 erg/s/cm^2/A at 380 nm in 4000s, and median SNR = 7 of the [OII] doublet at 8e-17 erg/s/cm^2 in a 1000s exposure for emission line galaxies at z = 1.4 - 1.6. We conclude with highlights from the on-sky validation and commissioning of the instrument, key successes, and lessons learned. (abridged
Overview of the Instrumentation for the Dark Energy Spectroscopic Instrument
Abstract: The Dark Energy Spectroscopic Instrument (DESI) embarked on an ambitious 5 yr survey in 2021 May to explore the nature of dark energy with spectroscopic measurements of 40 million galaxies and quasars. DESI will determine precise redshifts and employ the baryon acoustic oscillation method to measure distances from the nearby universe to beyond redshift z > 3.5, and employ redshift space distortions to measure the growth of structure and probe potential modifications to general relativity. We describe the significant instrumentation we developed to conduct the DESI survey. This includes: a wide-field, 3.°2 diameter prime-focus corrector; a focal plane system with 5020 fiber positioners on the 0.812 m diameter, aspheric focal surface; 10 continuous, high-efficiency fiber cable bundles that connect the focal plane to the spectrographs; and 10 identical spectrographs. Each spectrograph employs a pair of dichroics to split the light into three channels that together record the light from 360–980 nm with a spectral resolution that ranges from 2000–5000. We describe the science requirements, their connection to the technical requirements, the management of the project, and interfaces between subsystems. DESI was installed at the 4 m Mayall Telescope at Kitt Peak National Observatory and has achieved all of its performance goals. Some performance highlights include an rms positioner accuracy of better than 0.″1 and a median signal-to-noise ratio of 7 of the [O ii] doublet at 8 × 10−17 erg s−1 cm−2 in 1000 s for galaxies at z = 1.4–1.6. We conclude with additional highlights from the on-sky validation and commissioning, key successes, and lessons learned
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Overview of the Instrumentation for the Dark Energy Spectroscopic Instrument
The Dark Energy Spectroscopic Instrument (DESI) embarked on an ambitious 5 yr survey in 2021 May to explore the nature of dark energy with spectroscopic measurements of 40 million galaxies and quasars. DESI will determine precise redshifts and employ the baryon acoustic oscillation method to measure distances from the nearby universe to beyond redshift z > 3.5, and employ redshift space distortions to measure the growth of structure and probe potential modifications to general relativity. We describe the significant instrumentation we developed to conduct the DESI survey. This includes: a wide-field, 3.°2 diameter prime-focus corrector; a focal plane system with 5020 fiber positioners on the 0.812 m diameter, aspheric focal surface; 10 continuous, high-efficiency fiber cable bundles that connect the focal plane to the spectrographs; and 10 identical spectrographs. Each spectrograph employs a pair of dichroics to split the light into three channels that together record the light from 360–980 nm with a spectral resolution that ranges from 2000–5000. We describe the science requirements, their connection to the technical requirements, the management of the project, and interfaces between subsystems. DESI was installed at the 4 m Mayall Telescope at Kitt Peak National Observatory and has achieved all of its performance goals. Some performance highlights include an rms positioner accuracy of better than 0.″1 and a median signal-to-noise ratio of 7 of the [O ii] doublet at 8 × 10−17 erg s−1 cm−2 in 1000 s for galaxies at z = 1.4–1.6. We conclude with additional highlights from the on-sky validation and commissioning, key successes, and lessons learned