J. Appl. Cryst.の発刊に際して

2.3. Evaluation of Photocatalytic Water Splitting 6507 2.3.1. Photocatalytic Activity 6507 2.3.2. Photocatalytic Stability 6507 3. UV-Active Photocatalysts for Water Splitting 6507 3.1. d0 Metal Oxide Photocatalyts 6507 3.1.1. Ti-, Zr-Based Oxides 6507 3.1.2. Nb-, Ta-Based Oxides 6514 3.1.3. W-, Mo-Based Oxides 6517 3.1.4. Other d0 Metal Oxides 6518 3.2. d10 Metal Oxide Photocatalyts 6518 3.3. f0 Metal Oxide Photocatalysts 6518 3.4. Nonoxide Photocatalysts 6518 4. Approaches to Modifying the Electronic Band Structure for Visible-Light Harvesting 6519

Semiconductor-based Photocatalytic Hydrogen Generation

介绍了Kirk—Othmer Encyclopedia of Chemical Technology（化工技术百科全书）（第五版）电子图书网络版数据库，并对该数据库使用方法和检索途径作出了说明，且结合实例简单地介绍了该数据库的检索方法。

Kirk-Othmer Encyclopedia of Chemical Technology数据库介绍及实例

We have recently described a remarkable new way of exploring packing modes and intermolecular interactions in molecular crystals using a novel partitioning of crystal space. These molecular Hirshfeld surfaces reflect intermolecular interactions in a novel visual manner, offering a hitherto unseen picture of molecular shape in a crystalline environment. The surfaces encode information about all intermolecular interactions simultaneously, but sophisticated interactive graphics are required in order to extract the information most efficiently. To overcome this we have devised a two-dimensional mapping which summarizes quantitatively the nature and type of intermolecular interaction experienced by a molecule in the bulk, and presents it in a convenient graphical format. The mapping takes advantage of the triangulation of the Hirshfeld surfaces, and plots the fraction of points on the surface as a function of the closest distances from the point to nuclei inside and outside the surface.
In this manner all interaction types (for example, hydrogen bonding, close and distant van der Waals contacts, C–H⋯π interactions, π–π stacking) are readily identifiable, and it becomes a straightforward matter to classify molecular crystals by the nature of interactions, and to rapidly identify similarities and differences which can become obscured when examining crystal packing diagrams. These plots are a novel visual representation of all the intermolecular interactions simultaneously, and are unique for a given crystal structure and polymorph. Applications to a wide variety of molecular crystals and intermolecular interactions are presented, including polymorphic systems, as well as crystals where Z′ > 1.

Fingerprinting intermolecular interactions in molecular crystals

The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of where the research on the halogen bond is now, and, perhaps, where it is going. The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design.

The Halogen Bond

Solution and solid-state structure of N -acetamido-3,4,6-tri- O -acetyl-2-azido-2-deoxy-α-d-galactopyranosylamine

The crystal of the title complex, $[Sm(C_5H_7O_2)_3 C_{12}H_8N_2)]$ was found to be a non-merohedral twin. The samarium coordination is in the form of a distorted square antiprism, with the six O and two N atoms of the ligands lying at the apices.

Low-temperature structure of a twinned crystal of tris(2,4-pentanedionato)(1,10-phenanthroline)-samarium(III)

Hydrophobic interactions are often explored in solution-state aggregation of molecules. However, an experimental electron density description about these interactions is still lacking. Here, we report a systematic study on the electronic nature of methyl···methyl hydrophobic interactions in a series of multicomponent crystals of biologically active molecules. Charge density models based on high-resolution X-ray diffraction allow the visualization of subtle details of electron density features in the interaction region. Our study classifies these interactions as atypical group···group interactions in contrast to σ-hole interactions, which are stabilized by the minimized electrostatic repulsion and maximized dispersion forces. For the first time, we quantified the solid-state entropic contribution from the torsional mode of the methyl groups in stabilizing these interactions by thermal motion analysis based on neutron diffraction as well as variable-temperature crystallography. The carbon atoms in methyl···methyl interactions show a unique upfield chemical shift in the 13C solid-state NMR signal.

Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions

A series of $M_{0.5}Bi_3P_2O_{10}$ compounds with M = Ca, Sr, Ba and Pb have been synthesized in $MO-Bi_2O_3-P_2O_5$ ternary systems by the ceramic method and the crystal structures were then solved using single-crystal X-ray diffraction data. These compounds are isostructural with $Bi_{6.67}P_4O_{20}$ (triclinic, space group P\bar{1}, Z = 2). The structures consist of infinite chains of $Bi_2O_2$ units along the c axis formed by linking $BiO_8$ and $BiO_6$ polyhedra. These chains are interconnected by $MO_8$ polyhedra forming two-dimensional layers in the ac plane. The phosphate tetrahedra are sandwiched between these layers.

Synthesis and structure of M0.5Bi3P2O10 (M = Ca, Sr, Ba, Pb) series.

Structure of thiotrithiazyl nitrate (S4N3+NO3-): Evidence for a triangular arrangement with short contacts between an oxygen atom and the disulfide group

T. N. Guru Row

Papers

Solution and solid-state structure of N -acetamido-3,4,6-tri- O -acetyl-2-azido-2-deoxy-α-d-galactopyranosylamine

Low-temperature structure of a twinned crystal of tris(2,4-pentanedionato)(1,10-phenanthroline)-samarium(III)

Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH3···CH3 Hydrophobic Interactions

Synthesis and structure of M0.5Bi3P2O10 (M = Ca, Sr, Ba, Pb) series.

Structure of thiotrithiazyl nitrate (S4N3+NO3-): Evidence for a triangular arrangement with short contacts between an oxygen atom and the disulfide group