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

The title compound, also known as N-(3-nitro­phenyl)­acet­amide, C8H8N2O3, is an organic non-linear optical material. It crystallizes in the monoclinic system in the chiral space group P21, and there are four independent mol­ecules in the asymmetric unit.

3-Nitro­acetanilide

Thermally induced phase transitions of CsHSO4: a reexamination

The title compound, C13H9Cl2N, has an intra­molecular C—H⋯O close contact, and presents the NH group syn to the meta-chloro group in the aniline ring and trans to the C=O group. The crystal packing is formed by infinite chains of N—H⋯O hydrogen bonds along the c axis. Cl⋯Cl [3.474 (1) A] contacts link chains. The crystal used for data collection was a twin, the domains related by the twin law 0.948 (1)/0.052 (1).

https://journals.iucr.org/e/issues/2009/10/00/bg2292/bg2292.pdf

4-Chloro-N-(3-chloro-phen-yl)benzamide.

Etude du dihydroxy-3β,16α oxo-12 oleanane-13α oate-28 de methyle; affinement jusqu'a R = 0,078

Structure of an oxidation product of echinocystic acid

Crystal structure determination at room temperature [292 (2) K] of racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate), C26H22O6, showed that one of the terminal carbon-carbon bond lengths is very short [Csp(3)-Csp(3) = 1327 (6) angstrom] The reason for such a short bond length has been analysed by collecting data sets on the same crystal at 393, 150 and 90 K The values of the corrected bond lengths clearly suggest that the shortening is mainly due to positional disorder at two sites, with minor perturbations arising as a result of thermal vibrations The positional disorder has been resolved in the analysis of the 90 K data following the changes in the unit-cell parameters for the data sets at 150 and 90 K, which appear to be an artifact of a near centre of symmetry relationship between the two independent molecules in the space group P (1) over bar at these temperatures Indeed, the unit cell at low temperature (150 and 90 K) is a supercell of the room-temperature unit cell

Apparent shortening of the Csp(3)-Csp(3)bond analysed via a variable-temperature X-ray diffraction study in racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate).

T. N. Guru Row

Papers

3-Nitroacetanilide

Thermally induced phase transitions of CsHSO4: a reexamination

4-Chloro-N-(3-chloro-phen-yl)benzamide.

Structure of an oxidation product of echinocystic acid

Apparent shortening of the Csp(3)-Csp(3)bond analysed via a variable-temperature X-ray diffraction study in racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate).

T. N. Guru Row

Papers

3-Nitro­acetanilide

Thermally induced phase transitions of CsHSO4: a reexamination

4-Chloro-N-(3-chloro-phen-yl)benzamide.

Structure of an oxidation product of echinocystic acid

Apparent shortening of the Csp(3)-Csp(3)bond analysed via a variable-temperature X-ray diffraction study in racemic 1,1'-binaphthalene-2,2'-diyl diethyl bis(carbonate).

3-Nitroacetanilide