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<creators>
<creator>
<creatorName>Antipin, M.Y.</creatorName>
<affiliation>Институт элементоорганических соединений им. А.Н.Несмеянова РАН, Rusia</affiliation>
</creator>
</creators>
<titles>
<title xml:lang='en'>Modern opportunities of the X-ray diffraction analysis of crystals in the study of chemical bonding in coordinative and supramolecular systems: past and future</title>
</titles>
<publisher>Instrumentul Bibliometric National</publisher>
<publicationYear>2012</publicationYear>
<relatedIdentifier relatedIdentifierType='ISBN' relationType='IsPartOf'></relatedIdentifier>
<dates>
<date dateType='Issued'>2012</date>
</dates>
<resourceType resourceTypeGeneral='Text'>Conference Paper</resourceType>
<descriptions>
<description xml:lang='en' descriptionType='Abstract'><p>The key definition in chemistry is the nature of chemical bond. The presence or absence of chemical bond (attractive interaction) between two or more atoms is still the topic of many discussions in literature. Most earlier discussions still until now were and are related to analysis of interatomic distances in molecules and crystals using as a reference corresponding empirical atomic, ionic and/or van-der-Waals radii, or partition the total molecular energies (obtained mostly from quantum calculations) on different components via many empirical schemes. But in both approaches it is rather difficult to give more or less rigid definition of a chemical bond, in particular in the case of coordinative and supramolecular compounds. The relatively new approach to understanding chemical bonding is related to analysis the topology of the total electron density distribution function of a molecular system (using R. Bader&rsquo;s theory &ldquo;Atoms in Molecules&rdquo;, AIM), which may be reconstructed not only from quantum calculations, but also from high resolution X-ray diffraction data on crystals with high accuracy. The AIM theory today may present more adequate and physically rigid definition of chemical bonding. In the present talk some interesting examples of AIM application to description of bonding in series of new coordinative and supramolecular compounds will be presented and analyzed.</p></description>
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