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Inorganic Chemistry and Materials
Research Guide
What is Inorganic Chemistry and Materials?
Inorganic Chemistry and Materials is the study of the synthesis, characterization, and properties of inorganic cluster compounds, including oxynitride perovskites, metallic cluster complexes, and nitride materials, with emphasis on solid-state synthesis, photophysical and electronic properties, crystal structure determination, and luminescent materials.
This field encompasses 68,658 works focused on inorganic clusters, oxynitride perovskites, metallic cluster complexes, solid-state synthesis, photophysical properties, crystal structure, electronic properties, luminescent materials, transition-metal clusters, and nitride materials. R. D. Shannon (1976) revised effective ionic radii and conducted systematic studies of interatomic distances in halides and chalcogenides, providing foundational data for crystal structure analysis with 63,272 citations. Kazuo Nakamoto (2001) detailed infrared and Raman spectra of inorganic and coordination compounds, classifying molecules by atomicity and listing vibrational frequencies for structural characterization.
Topic Hierarchy
Research Sub-Topics
Oxynitride Perovskites
Synthesis and properties of perovskite materials incorporating both oxide and nitride anions for photocatalysis and phosphors. Researchers investigate band gap engineering and nitrogen doping effects.
Transition Metal Clusters
Structure, bonding, and reactivity of polynuclear transition metal complexes with metal-metal bonds. Researchers use spectroscopy and DFT to study electronic delocalization and catalysis.
Solid-State Synthesis of Nitrides
High-temperature routes including ammonolysis and nitridation for preparing nitride ceramics and thin films. Researchers address phase purity, kinetics, and scalability challenges.
Photophysical Properties of Inorganic Clusters
Excited-state dynamics, luminescence efficiency, and energy transfer in cluster compounds. Researchers correlate structure with photophysical behavior using time-resolved spectroscopy.
Crystal Structure Determination of Clusters
Advanced X-ray and neutron diffraction techniques for resolving complex cluster frameworks and disorder. Researchers develop refinement methods for accurate bond valence analysis.
Why It Matters
Research in Inorganic Chemistry and Materials supports materials discovery through computational tools and structural analysis. The Materials Project employs high-throughput computing to uncover properties of inorganic compounds, accelerating innovation in clean energy applications (Jain et al., 2013). Shannon's revised effective ionic radii enable precise prediction of interatomic distances in halides and chalcogenides, aiding design of solid-state materials (Shannon, 1976). Nakamoto's compilation of vibrational spectra facilitates identification of inorganic clusters and coordination compounds via spectroscopy (Nakamoto, 2001). These contributions underpin developments in luminescent materials and magnetocaloric effects, as seen in studies of transition metal dichalcogenides (Wilson and Yoffe, 1969) and magnetocaloric materials (Gschneidner Jr et al., 2005).
Reading Guide
Where to Start
"Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides" by R. D. Shannon (1976), as it supplies foundational data on ionic radii and interatomic distances essential for understanding crystal structures in all inorganic materials research.
Key Papers Explained
R. D. Shannon (1976) establishes ionic radii for structural predictions, which Kazuo Nakamoto (2001) complements with vibrational spectra for spectroscopic confirmation of inorganic compounds. Anubhav Jain et al. (2013) build on these by applying high-throughput DFT via the Materials Project to compute properties across vast inorganic databases. Florian Weigend (2006) and Michelle Francl et al. (1982) provide basis sets enabling accurate quantum simulations of clusters, as advanced in Jürgen Häfner (2008) with VASP for ab-initio materials modeling.
Paper Timeline
Most-cited paper highlighted in red. Papers ordered chronologically.
Advanced Directions
Current efforts emphasize high-throughput databases like the Open Quantum Materials Database (Saal et al., 2013) for materials design and magnetocaloric compounds (Gschneidner Jr et al., 2005). Focus remains on DFT simulations of transition metal dichalcogenides (Wilson and Yoffe, 1969) and mixed valence systems (Robin and Day, 1968) to explore electronic properties of clusters. No recent preprints or news indicate shifts in these computational and structural frontiers.
Papers at a Glance
Frequently Asked Questions
What are effective ionic radii used for in inorganic materials?
Effective ionic radii, as revised by R. D. Shannon (1976), determine interatomic distances in halides and chalcogenides based on new structural data and empirical bond strength-bond length relationships. These radii account for unusual oxidation states and coordinations. They provide systematic data for crystal structure determination in inorganic cluster compounds.
How are vibrational spectra applied to inorganic compounds?
Kazuo Nakamoto (2001) classifies inorganic molecules and ligands into diatomic to seven-atomic types, illustrating normal modes of vibration and listing frequencies. Infrared and Raman spectra identify structural features of coordination compounds and clusters. This enables characterization of photophysical properties in nitride materials and perovskites.
What is the Materials Project in inorganic chemistry?
The Materials Project uses high-throughput computing to compute properties of inorganic materials, supporting the Materials Genome Initiative (Jain et al., 2013). It accelerates discovery for sustainable energy applications. Researchers access data on crystal structures and electronic properties of thousands of compounds.
What methods predict properties of inorganic clusters?
Density-functional theory simulations with tools like VASP model electron interactions in materials (Häfner, 2008). Accurate Coulomb-fitting basis sets for elements H to Rn approximate energies with split-valence to quadruple-zeta orbital basis sets (Weigend, 2006). Polarization basis sets for second-row elements yield equilibrium geometries matching experimental data (Francl et al., 1982).
What are key properties of transition metal dichalcogenides?
Transition metal dichalcogenides exhibit layer structures cleavable to thin transparent films showing direct band-to-band transitions (Wilson and Yoffe, 1969). Their optical, electrical, and structural properties vary across about 60 compounds. Two-thirds form layers relevant to electronic and photophysical studies.
How do mixed valence compounds function in inorganic chemistry?
Mixed valence chemistry involves compounds with metals in multiple oxidation states, surveyed and classified by Robin and Day (1968). These systems display intervalence charge transfer and electronic properties. They appear in metallic cluster complexes and transition-metal clusters.
Open Research Questions
- ? How can high-throughput DFT methods like those in the Open Quantum Materials Database expand to predict properties of oxynitride perovskites and nitride materials?
- ? What refinements to effective ionic radii are needed for rare coordinations in luminescent inorganic clusters?
- ? How do vibronic coupling effects in mixed valence cluster complexes influence photophysical properties beyond current classifications?
- ? Which basis set improvements for transition metals will enhance accuracy in simulating electronic properties of solid-state synthesized materials?
- ? What structural motifs in metallic cluster complexes enable novel magnetocaloric effects comparable to known families?
Recent Trends
The field maintains 68,658 works with established high-citation papers like Shannon (1976, 63,272 citations) and Nakamoto (2001, 15,413 citations) driving structural and spectroscopic analysis.
High-throughput approaches persist via Jain et al. (2013, 11,732 citations) and Saal et al. (2013, 2,359 citations) for inorganic materials discovery.
No growth rate data or recent preprints/news available indicate steady reliance on DFT basis sets from Weigend and Francl et al. (1982).
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