An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Carbonyl stretching frequencies in a wide variety of compounds are satisfactorily predicted by the CNDO/2 method. The CO stretching force constant generally varies within ± 10%. The calculated dipole moment derivatives vary in the same direction as the observed CO or CN stretching band intensities in related series of molecules.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
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The model for spin-state transitions described by Bari and Sivardiere (1972) is static and can be solved exactly even when the dynamics of the lattice are included; the dynamic model does not, however, show any phase transition. A coupling between the octahedra, on the other hand, leads to a phase transition in the dynamical two-sublattice displacement model. A coupling of the spin states to the cube of the sublattice displacement leads to a first-order phase transition. The most reasonable model appears to be a two-phonon model in which an ion-cage mode mixes the spin states, while a breathing mode couples to the spin states without mixing. This model explains the non-zero population of high-spin states at low temperatures, temperature-dependent variations in the inverse susceptibility and the spin-state population ratio, as well as the structural phase transitions accompanying spin-state transitions found in some systems.
Electron energy loss spectroscopy (EELS) has become a very important tool in the study of the surface chemistry of solids. Besides providing information on the vibrational spectra of adsorbed molecules, EELS (with primary electrons of low energy, ≤5 eV) also throws light on metal-ligand vibrations. The vibrational spectra from EELS are useful in understanding gas-solid interactions and the nature of the molecular species such as the state of hybridization of orbitals in hydrocarbon fragments bound to the surface. By employing primary electrons of higher energies (30–300 eV), electronic excitations of adsorbed molecules as well as the adsorbents themselves can be fruitfully studied. This article describes the up-to-date status of EELS in the study of adsorbed molecules and surveys all the important literature data and correlations.
Although solid state science is an area of intense research activity pursued by physicists and materials scientists, the contributions of chemists to this area have a distinct identity. The great skill of chemists in developing novel methods for the synthesis of complex materials, and their understanding of the intricacies of structure and bonding, make their contributions to solid state science unique. At the present time, solid state chemistry is mainly concerned with the development of new methods of synthesis, new ways of identifying and characterizing materials and of describing their structure and above all, with new strategies for tailor-making materials with desired and controllable properties be they electronic, magnetic, dielectric, optical, adsorptive or catalytic. It is heartening that solid state chemistry is increasingly coming to be recognized as an emerging area of chemical science.
Inorganic–organic hybrid compounds of the amino acid alanine have been prepared and characterized for the first time. Thus by the reaction of β-alanine with copper salts, one-dimensional hybrid chain compounds of the formulae [Cu(CO2CH2CH2NH3)Cl2], I, and [Cu(H2O)2(NH3CH2CH2CO2)][SO4]·H2O, II, and a two-dimensional layered compound [NH4]0.33[Cu0.5(CO2CH2CH2NH2)Cl0.33]·H2O, III, have been obtained and their structures established by X-ray crystallography and other techniques. Hybrid chain alaninates of lead and strontium of the formulae [Pb(CO2CH2CH2NH3)2(NO3)2], IV and [Sr(CO2CH2CH2NH3)2(NO3)2], V have also been obtained by the reaction of the corresponding metal salts with alanine. The linear chain compounds, I, II, IV and V contain extended metal–X–metal (X=Cl or O) bonds and have the I1O0 type inorganic (I) and organic (O) connectivities. The layered compound III also has metal–X–metal bonds with I2O0 type connectivity. Interestingly, the zero-dimensional copper alaninate dimer of the composition [Cu2(CO2CH2CH2NH3)4Cl2]·2Cl·H2O can be transformed to the linear chain structure I or the layered structure III under mild conditions.
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTInteraction of Carbon Monoxide with Bimetallic OverlayersA. K. Santra and C. N. R. RaoCite this: J. Phys. Chem. 1994, 98, 23, 5962–5965Publication Date (Print):June 1, 1994Publication History Published online1 May 2002Published inissue 1 June 1994https://pubs.acs.org/doi/10.1021/j100074a024https://doi.org/10.1021/j100074a024research-articleACS PublicationsRequest reuse permissionsArticle Views84Altmetric-Citations9LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access options Get e-Alerts
Graphene is a well‐known 2D material with potential applications. In recent years, 2D materials of other elements have come to the fore. These are borophene in group III, silicene, germanene and stanene in group IV and phosphorene, arsenene, antimonene and bismuthene in group V. In this article, we discuss the synthesis, structure and properties of the elemental 2D materials beyond graphene. Of the various elemental 2D materials, borophene, silicene and phosphorene are interesting in terms of stability and properties leading to possible applications. We have described potential applications of other 2D materials as well.
HeI photoelectron spectra of the vapour phase complexes of diethylether and diethylsulphide with iodine have been investigated for the first time. The iodine orbital ionization energy decreases on complexation while the donor lone-pair orbital ionization energy increases markedly; the shifts are considerably larger in the sulphide complex as expected on the basis of enthalpy considerations.
