Chemical Bonding in Crystals and Their Properties
Unravelling an intricate network of interatomic interactions and their relations to different behaviors of chemical compounds is key to the successful design of new materials for both existing and novel applications, from medicine to innovative concepts of molecular electronics and spintronics. X-ra...
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Vologzhanina, Anna V. edt Chemical Bonding in Crystals and Their Properties Basel, Switzerland MDPI - Multidisciplinary Digital Publishing Institute 2020 1 electronic resource (144 p.) text txt rdacontent computer c rdamedia online resource cr rdacarrier Unravelling an intricate network of interatomic interactions and their relations to different behaviors of chemical compounds is key to the successful design of new materials for both existing and novel applications, from medicine to innovative concepts of molecular electronics and spintronics. X-ray crystallography has proven to be very helpful in addressing many important chemical problems in modern materials science and biosciences. Intertwined with computational techniques, it provides insights into the nature of chemical bonding and the physicochemical properties (including optical, magnetic, electrical, mechanical, and others) of crystalline materials, otherwise accessible by experimental techniques that are not so readily available to chemists. In addition to the advanced approaches in charge density analysis made possible by X-ray diffraction, the information collected over the years through this technique (which is easily mined from huge databases) has tremendous use in the design of new materials for medicine, gas storage, and separation applications as well as for electronic devices. This Special Issue contains two reviews and five articles that cover very different aspects of ‘composition–structure’ and ‘structure–property’ relations identified by X-ray diffraction and complementary techniques (from conventional IR and Raman spectroscopies to cutting-edge quantum chemical calculations) and their use in crystal engineering and materials science. English Research & information: general bicssc organofluorine compounds polymorphism QTAIM NCI quantum chemical calculations lattice energy intermolecular interactions F…F interactions boron cages dihydrogen bonds hirshfeld surface cambridge structural database crystal structures knowledge-based analysis structure–property relations supramolecular chemistry chalcogen bond halogen bond triiodide anion Raman spectroscopy thermal analysis thiazolo[2,3-b][1,3]thiazinium salts RNA structural motifs base-base interactions classification of base arrangement RNA crystallographic structures chiral thiophosphorylated thioureas chirality control nickel(II) complexes X-ray single crystal diffraction X-ray crystallography in situ crystallization Hirshfeld surface analyzes lattice energies packing motifs polymorph stability n/a 3-03936-170-8 3-03936-171-6 Nelyubina, Yulia V. edt Vologzhanina, Anna V. oth Nelyubina, Yulia V. oth |
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English |
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eBook |
author2 |
Nelyubina, Yulia V. Vologzhanina, Anna V. Nelyubina, Yulia V. |
author_facet |
Nelyubina, Yulia V. Vologzhanina, Anna V. Nelyubina, Yulia V. |
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a v v av avv y v n yv yvn |
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HerausgeberIn Sonstige Sonstige |
title |
Chemical Bonding in Crystals and Their Properties |
spellingShingle |
Chemical Bonding in Crystals and Their Properties |
title_full |
Chemical Bonding in Crystals and Their Properties |
title_fullStr |
Chemical Bonding in Crystals and Their Properties |
title_full_unstemmed |
Chemical Bonding in Crystals and Their Properties |
title_auth |
Chemical Bonding in Crystals and Their Properties |
title_new |
Chemical Bonding in Crystals and Their Properties |
title_sort |
chemical bonding in crystals and their properties |
publisher |
MDPI - Multidisciplinary Digital Publishing Institute |
publishDate |
2020 |
physical |
1 electronic resource (144 p.) |
isbn |
3-03936-170-8 3-03936-171-6 |
illustrated |
Not Illustrated |
work_keys_str_mv |
AT vologzhaninaannav chemicalbondingincrystalsandtheirproperties AT nelyubinayuliav chemicalbondingincrystalsandtheirproperties |
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Chemical Bonding in Crystals and Their Properties |
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