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Articles 1 - 30 of 169
Full-Text Articles in Physical Sciences and Mathematics
Historical Ozone Isopleths For Salt Lake Valley, Ut, Usa, Callum Flowerday, Isaac Sudweeks, Brad Adams, Jaron C. Hansen
Historical Ozone Isopleths For Salt Lake Valley, Ut, Usa, Callum Flowerday, Isaac Sudweeks, Brad Adams, Jaron C. Hansen
ScholarsArchive Data
EPA quality assured data, collected by the Utah Division of Air Quality, was used for this analysis.
Historical Analysis Of Urban Dust Generated By The Great Salt Lake Playa, Callum Flowerday, Jaron C. Hansen, Rebekah Stanley, Kaitlyn Brewster
Historical Analysis Of Urban Dust Generated By The Great Salt Lake Playa, Callum Flowerday, Jaron C. Hansen, Rebekah Stanley, Kaitlyn Brewster
ScholarsArchive Data
Historical PM10 filters, provided by the Utah Division of Air Quality, were analyzed for elemental composition of various metals. This was done using ICP-MS.
Also included, EPA PM10 historical data and bathymetry data provided by the Utah USGS.
Easy, Bright, Fluorescence Demonstration Of Buffer Action, Mariana Dykstra, Yejin Chung, Mark Muyskens
Easy, Bright, Fluorescence Demonstration Of Buffer Action, Mariana Dykstra, Yejin Chung, Mark Muyskens
University Faculty Publications and Creative Works
We report an attractive update to the demonstration of acid–base buffer action that is appropriate for ease of use and getting attention in the classroom. The twist is based on new fluorophore information and the recent availability of UV flashlights serving as an ideal, portable excitation light source. The pH-dependent fluorescence comes from a choice among three natural sources, namely narra tree wood extract, kidneywood extract, and scopoletin, which is a purchasable coumarin, that all perform equally well. We provide practical details for performing the buffer demonstration at scales of 100 and 1000 mL and give background information for context.
Utilizing Low-Cost Sensors To Monitor Indoor Air Quality In Mongolian Gers, Callum Flowerday, Jaron C. Hansen, Phil Lundrigan, Christopher Kitras
Utilizing Low-Cost Sensors To Monitor Indoor Air Quality In Mongolian Gers, Callum Flowerday, Jaron C. Hansen, Phil Lundrigan, Christopher Kitras
Faculty Publications
Air quality has important climate and health effects. There is a need, therefore, to monitor air quality both indoors and outdoors. Methods of measuring air quality should be cost-effective if they are to be used widely, and one such method is low-cost sensors (LCS). This study reports on the use of LCSs in Ulaanbataar, Mongolia to measure PM2.5 concentrations inside yurts or “gers”. Some of these gers were part of a non-government agency (NGO) initiative to improve insulating properties of these housing structures. The goal of the NGO was to decrease particulate emissions inside the gers; a secondary result …
Broadband Cavity-Enhanced Absorption Spectroscopy (Bbceas) Coupled With An Interferometer For On-Band And Off-Band Detection Of Glyoxal, Callum Flowerday, Jaron Hansen, Ryan Thalman
Broadband Cavity-Enhanced Absorption Spectroscopy (Bbceas) Coupled With An Interferometer For On-Band And Off-Band Detection Of Glyoxal, Callum Flowerday, Jaron Hansen, Ryan Thalman
ScholarsArchive Data
These data are the raw data from the BBCEAS. The "data_" files are the PMT data and the "DualDetection_08_02_2023" files are the spectrograph data. The PMT data are found in column 7 of the sheet. Column 1 is the time stamp.
Raw Diffraction Data For 1tel-Aa-Vwa (Sumo), Wwpdb Id: 7n1o, Moriah H. Mathis, Braydan D. Bezzant, Diana T. Ramírez, Supeshala D. Nawarathnage, Tzanko I. Doukov, James Moody
Raw Diffraction Data For 1tel-Aa-Vwa (Sumo), Wwpdb Id: 7n1o, Moriah H. Mathis, Braydan D. Bezzant, Diana T. Ramírez, Supeshala D. Nawarathnage, Tzanko I. Doukov, James Moody
ScholarsArchive Data
This X-ray diffraction dataset was collected on October 21Oct2020 at SSRL Beamline BL9-2. The crystal was of Batch 1 1TEL-AA-vWa (SUMO) The solved structure used frames 1-999 and has been deposited in the wwPDB under the PDB ID 7N1O. This data can be readily processed using XDS, AutoProc, CCP4, HKL2000/3000, or other crystallographic X-ray diffraction data processing software. The files have a human-readable header but are otherwise binary.
Raw Diffraction Data For 3tel-Hlx-Darpin (Sumo), Wwpdb Id: 7n2b, Supeshala D. Nawarathnage, Parag Laljibhai Gajjar, Derick R. Bunn, Cameron Stewart, Tzanko I. Doukov, James Moody
Raw Diffraction Data For 3tel-Hlx-Darpin (Sumo), Wwpdb Id: 7n2b, Supeshala D. Nawarathnage, Parag Laljibhai Gajjar, Derick R. Bunn, Cameron Stewart, Tzanko I. Doukov, James Moody
ScholarsArchive Data
This X-ray diffraction dataset was collected on October 21Oct2020 at SSRL Beamline BL9-2. The crystal was of 3TEL-hlx-DARPin (SUMO) The solved structure used frames 1-1799 and has been deposited in the wwPDB under the PDB ID 7N2B. This data can be readily processed using XDS, AutoProc, CCP4, HKL2000/3000, or other crystallographic X-ray diffraction data processing software. The files have a human-readable header but are otherwise binary.
Data Set For "Atmospheric Aging Of Combustion-Derived Particles: Impact On Stable Free Radical Concentration And Its Ability To Produce Reactive Oxygen Species In Aqueous Media", Brian Majestic, Heather L. Runberg
Data Set For "Atmospheric Aging Of Combustion-Derived Particles: Impact On Stable Free Radical Concentration And Its Ability To Produce Reactive Oxygen Species In Aqueous Media", Brian Majestic, Heather L. Runberg
Chemistry and Biochemistry: Data Sets
Environmentally persistent free radicals (EPFR) are an emerging pollutant found in soot particles. Understanding how these change as they move through the atmosphere is important to human health. Here, soot was generated in the laboratory and exposed to simulated sunlight. The concentrations and characteristics of EPFR in the soot was recorded. Additionally, formation of hydroxyl radical from the photoactivated soot was measured.
Kinetics, Products, And Brown Carbon Formation By Aqueous-Phase Reactions Of Glycolaldehyde With Atmospheric Amines And Ammonium Sulfate (Raw Data), David O. De Haan, Alyssa A. Rodriguez, Michael A. Rafla, Hannah G. Welsh, Elyse A. Pennington, Jason R. Casar, Lelia N. Hawkins, Natalie G. Jimenez, Alexia De Loera, Devoun R. Stewart, Antonio Rojas, Matthew-Khoa Tran, Peng Lin, Alexander Laskin, Paola Formenti, Mathieu Cazaunau, Edouard Pangui, Jean-François Doussin
Kinetics, Products, And Brown Carbon Formation By Aqueous-Phase Reactions Of Glycolaldehyde With Atmospheric Amines And Ammonium Sulfate (Raw Data), David O. De Haan, Alyssa A. Rodriguez, Michael A. Rafla, Hannah G. Welsh, Elyse A. Pennington, Jason R. Casar, Lelia N. Hawkins, Natalie G. Jimenez, Alexia De Loera, Devoun R. Stewart, Antonio Rojas, Matthew-Khoa Tran, Peng Lin, Alexander Laskin, Paola Formenti, Mathieu Cazaunau, Edouard Pangui, Jean-François Doussin
Chemistry and Biochemistry: Faculty Scholarship
The zipped data files are in the following formats: Metadata: Word documents (.docx), Chamber data: Excel spreadsheets (.xlsx) and European Data Format files (.edf), organized by experiment number and instrumentation. “CAPS” files contain cavity attenuated phase shift (CAPS) extinction and scattering data; “SMPS” files contain scanning mobility particle sizing aerosol number and aerosol mass data.
Datadescription-Detection Of Sulfur Dioxide By Broadband Cavity-Enhanced Absorption Spectroscopy (Bbceas), Ryan Thalman, Nitish Bhardwaj, Callum Flowerday, Jaron C. Hansen
Datadescription-Detection Of Sulfur Dioxide By Broadband Cavity-Enhanced Absorption Spectroscopy (Bbceas), Ryan Thalman, Nitish Bhardwaj, Callum Flowerday, Jaron C. Hansen
ScholarsArchive Data
Files archived include the following:
Figure1.txt This file contains all the data used to make Figure 1 in the paper.
Figure4.txt This file contains all the data used to make Figure 4 in the paper.
Figure5.txt This file contains all the data used to make Figure 5 in the paper.
Figure6.txt This file contains all the data used to make Figure 6 in the paper.
Figure7.txt This file contains the code, written in Igor, that was used to generate this figure.
Figure8.txt This file contains all the data used to make Figure 8 in the paper.
Figure9.txt This file contains …
Air Pollutant Emissions From Natural Gas-Fueled Pumpjack Engines In The Uinta Basin, Seth Lyman
Air Pollutant Emissions From Natural Gas-Fueled Pumpjack Engines In The Uinta Basin, Seth Lyman
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We measured a comprehensive suite of pollutants emitted from 58 natural gas-fueled pumpjack engines in Utah’s Uinta Basin between January and May 2021, with repeat measurements of five engines in January 2022. We documented the emissions composition of several makes and models of commonly used engines, including Ajax E42, E565, DP60, and DP80 engines; Arrow L795, C101, and C106 engines; and GM Vortec.
Elemental And Oxidized Mercury In The Atmosphere At Horsepool, Utah, January-July 2019, Seth Lyman
Elemental And Oxidized Mercury In The Atmosphere At Horsepool, Utah, January-July 2019, Seth Lyman
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This is a dataset of elemental and oxidized mercury in the ambient atmosphere at latitude 40.143° N and longitude 109.469° W. This is the location of the Horsepool monitoring station in the Uinta Basin, Utah. We collected these measurements using a dual-channel atmospheric mercury speciation instrument, which is described by Lyman, S. N., Gratz, L. E., Dunham-Cheatham, S. M., Gustin, M. S., & Luippold, A. (2020). Improvements to the accuracy of atmospheric oxidized mercury measurements. Environmental Science & Technology, 54(21), 13379-13388.
Finding Combinations Of Objects Within Categories Using Edges Software, Erin M. Thorpe, Ehab Rizek, Yan Xu
Finding Combinations Of Objects Within Categories Using Edges Software, Erin M. Thorpe, Ehab Rizek, Yan Xu
Chemistry Software
Edges Software can be used to find the combinations of any objects within different categories. A combination is an arrangement of objects where order does not matter. The original intent of this software was to provide the combinations of proteins within different pathways to aid in building a protein-(target)-protein network where protein nodes are connected to each other through their common pathway edges. This software can analyze tens of thousands of rows of excel data in just a few minutes and provide an excel output that contains all the combinations of objects within the different categories. This output can then …
Does A Bottom-Up Mechanism Promote Hypoxia In The Mississippi Bight?, Virginie Sanial, Willard S. Moore, Alan M. Shiller
Does A Bottom-Up Mechanism Promote Hypoxia In The Mississippi Bight?, Virginie Sanial, Willard S. Moore, Alan M. Shiller
Faculty Publications
The Mississippi Bight, east of the Mississippi River, is a complex coastal ecosystem that, like the better-known Louisiana Shelf to the west, experiences seasonal bottom water hypoxia. However, input of allochthonous nutrients from the Mississippi River to the Mississippi Bight appears to be limited, begging the question of what drives seasonal hypoxia in this system. Prior research has suggested submarine groundwater discharge (SGD) could be an overlooked component of the Mississippi Bight biogeochemical system. We thus examined the hypothesis that SGD provides a “bottom up” driver for seasonal hypoxia in this area. We used a multi-tracer approach based on known …
Data From: 'Bottled' Spiro-Doubly Aromatic Trinuclear [Pd2ru]+ Complexes, Alexander I. Boldyrev, Maksim Kulichenko
Data From: 'Bottled' Spiro-Doubly Aromatic Trinuclear [Pd2ru]+ Complexes, Alexander I. Boldyrev, Maksim Kulichenko
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The central unit of the synthesized structure is a Ru atom which is the vertex of the [RuPd2]+ triangle being the first example of mixed triangles among these metals. Moreover, Ru is involved in both σ- and π-aromaticity. σ-aromaticity is realized as the d-AO based multicenter bond which is delocalized over the inner [RuPd2]+ triangle with considerable contribution from the sulfur electron density. Besides, transition metals are known to interact with the electron cloud of benzene which, in turn, leads to the charge transfer and formation of conjugated electron density between the TM and benzene. The second type of aromaticity, …
Data From: Σ-Aromaticity In The Mos2 Monolayer, Alexander I. Boldyrev, Maksim Kulichenko
Data From: Σ-Aromaticity In The Mos2 Monolayer, Alexander I. Boldyrev, Maksim Kulichenko
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As is shown using the SSAdNDP approach, Mo and S form 2-centered bonds and there is a lone pair on each S. Most importantly, the remaining electrons are distributed over Mo atoms and form conjugated aromatic σ-bonds inside every hexagonal ring, which makes molybdenum the main carrier of σ-aromaticity.
Data From: Spherical Aromaticity In Inorganic Chemistry, Alexander I. Boldyrev, Maksim Kulichenko
Data From: Spherical Aromaticity In Inorganic Chemistry, Alexander I. Boldyrev, Maksim Kulichenko
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Chapter "14 - Spherical aromaticity in inorganic chemistry" in a book "Aromaticity - Modern Computational Methods and Applications"
Data From: High-Resolution Photoelectron Imaging Of Irb3-: Observation Of A P-Aromatic B3+ Ring Coordinated To A Transition Metal, Alexander I. Boldyrev, Maksim Kulichenko
Data From: High-Resolution Photoelectron Imaging Of Irb3-: Observation Of A P-Aromatic B3+ Ring Coordinated To A Transition Metal, Alexander I. Boldyrev, Maksim Kulichenko
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In a high-resolution photoelectron imaging and theoretical study of the IrB3− cluster, two isomers were observed experimentally with electron affinities (EAs) of 1.3147(8) and 1.937(4) eV. Quantum calculations revealed two nearly degenerate isomers competing for the global minimum, both with a B3 ring coordinated with the Ir atom.
Data From: Hydrated Sulfate Clusters So4(2-)(H2o)N(N=1-40): Charge Distribution Through Solvation Shells And Stabilization, Alexander I. Boldyrev, Maksim Kulichenko
Data From: Hydrated Sulfate Clusters So4(2-)(H2o)N(N=1-40): Charge Distribution Through Solvation Shells And Stabilization, Alexander I. Boldyrev, Maksim Kulichenko
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In the current work, we report our computational study of hydrated sulfate clusters SO4(2–)(H2O)n (n = 1–40) in order to understand the nature of stabilization of this important anion by water molecules. We showed that the most significant charge transfer from dianion SO4(2–) to H2O takes place at a number of H2O molecules n ≤ 7. The SO4(2–) directly donates its charge only to the first solvation shell and surprisingly, a small amount of electron density of 0.15|e| is enough to be transferred in order to stabilize the dianion.
Data From: Expansion Of Aromaticity Magnetic Criteria On Multi-Layer Structures. Magnetic Response And Spherical Aromaticity Of Matryoshka-Like [Sn@Cu12@Sn20]12- Cluster, Alexander I. Boldyrev, Maksim Kulichenko
Data From: Expansion Of Aromaticity Magnetic Criteria On Multi-Layer Structures. Magnetic Response And Spherical Aromaticity Of Matryoshka-Like [Sn@Cu12@Sn20]12- Cluster, Alexander I. Boldyrev, Maksim Kulichenko
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Structural characterization of the discrete [Sn@Cu12@Sn20]12− cluster exposed a fascinating architecture composed of three concentric structural layers in which an endohedral Sn atom is enclosed in a Cu12 icosahedron, which in turn is embedded in an Sn20 dodecahedron. Herein, the possibility of sustaining aromatic behavior for this prototypical multilayered species was evaluated, in order to extend this concept to more complex clusters on the basis of magnetic response and bonding analysis by the AdNDP approach. This revealed characteristic features of spherical aromatics, given by the ability to sustain the shielding cone property, similar to archetypal aromatics.
Data From: Periodic F-Defects On The Mgo Surface As Potential Single-Defect Catalysts With Non-Linear Optical Properties, Alexander I. Boldyrev, Maksim Kulichenko
Data From: Periodic F-Defects On The Mgo Surface As Potential Single-Defect Catalysts With Non-Linear Optical Properties, Alexander I. Boldyrev, Maksim Kulichenko
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In this paper we suggest a new type of a single-atom (or single-defect) catalyst – MgO with periodic defects on the (0 0 1) surface – which possesses noticeable non-linear optical properties. Periodicity of these defects leads to the significant extensive increase in the activity of a catalyst by growth of the concentration of active sites. In this work we showed the presence of diffuse electride-like multi-center bonds inside every periodic F-center. We also discovered that MgO with periodic defects on the surface gains non-linear optical properties due to electride-like polarizable bonds inside every defect. And most importantly, such defective …
Data From: Boron-Made N2: Realization Of A Bb Triple Bond In The B2al3- Cluster, Alexander I. Boldyrev, Nikita Fedik
Data From: Boron-Made N2: Realization Of A Bb Triple Bond In The B2al3- Cluster, Alexander I. Boldyrev, Nikita Fedik
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Project reports B2Al3- cluster, which mimics triple bond N2 molecule.
Data From: Two Names Of Stability: Spherical Aromatic Or Superatomic Intermetalloid Cluster [Pd3sn8bi6]4−, Alexander I. Boldyrev, Nikita Fedik
Data From: Two Names Of Stability: Spherical Aromatic Or Superatomic Intermetalloid Cluster [Pd3sn8bi6]4−, Alexander I. Boldyrev, Nikita Fedik
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Project reports the aromaticity in the intermetalloid cluster [Pd3Sn8Bi6]4−.
Data From: Can Aromaticity Be A Kinetic Trap? Example Of Mechanically Interlocked Aromatic [2-5]Catenanes Built From Cyclo[18]Carbon, Alexander I. Boldyrev, Nikita Fedik
Data From: Can Aromaticity Be A Kinetic Trap? Example Of Mechanically Interlocked Aromatic [2-5]Catenanes Built From Cyclo[18]Carbon, Alexander I. Boldyrev, Nikita Fedik
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Project reports the analysis of interlocked C18 rings as building blocks for polycatenanes.
Data From: Chemical Bonding Analysis Of Excited States Using The Adaptive Natural Density Partitioning Method, Alexander I. Boldyrev, Nikolay Tkachenko
Data From: Chemical Bonding Analysis Of Excited States Using The Adaptive Natural Density Partitioning Method, Alexander I. Boldyrev, Nikolay Tkachenko
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A novel approach to chemical bond analysis for excited states has been developed. Using an extended adaptive natural density partitioning method (AdNDP) as implemented in AdNDP 2.0 code, we obtained chemically intuitive bonding patterns for the excited states of H2O, B5+, and C2H4+ molecules. The deformation pathway in the excited states could be easily predicted based on the analysis of the chemical bond pattern. We expect that this new method of chemical bonding analysis would be very helpful for photochemistry, photoelectron spectroscopy, electron spectroscopy and other chemical applications that involved excited states.
Data From: Novel Strongly Correlated Europium Superhydrides, Alexander I. Boldyrev, Nikolay Tkachenko
Data From: Novel Strongly Correlated Europium Superhydrides, Alexander I. Boldyrev, Nikolay Tkachenko
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We conducted a joint experimental–theoretical investigation of the high-pressure chemistry of europium polyhydrides at pressures of 86–130 GPa. We discovered several novel magnetic Eu superhydrides stabilized by anharmonic effects: cubic EuH9, hexagonal EuH9, and an unexpected cubic (Pm3n) clathrate phase, Eu8H46. Monte Carlo simulations indicate that cubic EuH9 has antiferromagnetic ordering with TN of up to 24 K, whereas hexagonal EuH9 and Pm3n-Eu8H46 possess ferromagnetic ordering with TC = 137 and 336 K, respectively. The electron–phonon interaction is weak in all studied europium hydrides, and their magnetic ordering excludes s-wave superconductivity, except, perhaps, for distorted pseudohexagonal EuH9. The equations of …
Data From: Stability, Electronic, And Optical Properties Of Two-Dimensional Phosphoborane, Alexander I. Boldyrev, Nikolay Tkachenko
Data From: Stability, Electronic, And Optical Properties Of Two-Dimensional Phosphoborane, Alexander I. Boldyrev, Nikolay Tkachenko
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The structure and properties of two-dimensional phosphoborane sheets were computationally investigated using Density Functional Theory calculations. The calculated phonon spectrum and band structure point to dynamic stability and allowed characterization of the predicted two-dimensional material as a direct-gap semiconductor with a band gap of ~1.5 eV. The calculation of the optical properties showed that the two-dimensional material has a relatively small absorptivity coefficient. The parameters of the mechanical properties characterize the two-dimensional phosphoborane as a relatively soft material, similar to the monolayer of MoS2. Assessment of thermal stability by the method of molecular dynamics indicates sufficient stability of the predicted …
Data From: A Sandwich-Type Cluster Containing Ge@Pd3 Planar Fragment Flanked By Aromatic Nonagermanide Caps, Alexander I. Boldyrev, Nikolay Tkachenko
Data From: A Sandwich-Type Cluster Containing Ge@Pd3 Planar Fragment Flanked By Aromatic Nonagermanide Caps, Alexander I. Boldyrev, Nikolay Tkachenko
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Sandwich-type clusters with the planar fragment containing a heterometallic sheet have remained elusive. In this work, we introduce the [K(2,2,2-crypt)]4{(Ge9)2[η6-Ge(PdPPh3)3]} complex that contains a heterometallic sandwich fragment. The title compound is structurally characterized by means of single-crystal X-ray diffraction, which reveals the presence of an unusual heteroatomic metal planar fragment Ge@Pd3. The planar fragment contains a rare formal zerovalent germanium core and a peculiar bonding mode of sp2-Ge@(PdPPh3)3 trigonal planar structure, whereas the nonagermanide fragments act as capping ligands. The chemical bonding pattern of the planar fragment consists of three 2c-2e Pd-Ge σ-bonds attaching Pd atoms to the core Ge …
Dataset For: Multiple Local Σ-Aromaticity Of Nonagermanide Clusters, Alexander I. Boldyrev, Nikolay Tkachenko
Dataset For: Multiple Local Σ-Aromaticity Of Nonagermanide Clusters, Alexander I. Boldyrev, Nikolay Tkachenko
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Nonagermanide clusters are widely used in inorganic synthesis and are actively studied by experimentalists and theoreticians. However, chemical bonding of such versatile species is still not completely understood. In our work we deciphered a bonding pattern for various experimentally obtained nonagermanide species. We localized the electron density via the AdNDP algorithm for the model structures ([Ge9]4−, [Ge9{P(NH2)2}3]−, Cu[Ge9{P(NH2)2}3] and Cu(NHC)[Ge9{P(NH2)2}3]) and obtained a simple and chemically intuitive bonding pattern which can explain the variety of active sites and the existence of both D3h and C4v geometries for such clusters. Moreover, the [Ge9]4− core is found to be a unique example …
Data From: Computational Prediction Of The Low-Temperature Ferromagnetic Semiconducting 2d Sin Monolayer, Alexander I. Boldyrev, Nikolay Tkachenko
Data From: Computational Prediction Of The Low-Temperature Ferromagnetic Semiconducting 2d Sin Monolayer, Alexander I. Boldyrev, Nikolay Tkachenko
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Since the discovery of graphene, 2D materials have captured the minds of scientists because of their attractive and unique electronic properties. In particular, magnetic 2D materials have become a subject of extensive discussions today. Using density functional theory calculations, it is shown that 2D SiN sheet (built out of nonmetallic main group atoms) is a ferromagnetic semiconducting material with a magnetic moment 1 μB per unit cell and an indirect bandgap of 1.55 eV. Calculated phonon spectrum and conducted ab initio molecular dynamics simulation reveal thermal and dynamical stability of the designed material. It is shown that the ferromagnetic state …