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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| Médium: | Online |
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| Jazyk: | angličtina |
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MDPI - Multidisciplinary Digital Publishing Institute
2021
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| On-line přístup: | ONIX_20210501_9783039361700_354 |
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| collection | Directory of Open Access Books |
| description | 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. |
| format | Online |
| id | doab-20.500.12854ir-68608 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2021 |
| publishDateRange | 2021 |
| publishDateSort | 2021 |
| publisher | MDPI - Multidisciplinary Digital Publishing Institute |
| publisherStr | MDPI - Multidisciplinary Digital Publishing Institute |
| record_format | ojs |
| spelling | doab-20.500.12854ir-686082024-03-28T03:33:13Z Chemical Bonding in Crystals and Their Properties Vologzhanina, Anna V. Nelyubina, Yulia V. 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 thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general 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. 2021-05-01T15:15:44Z 2021-05-01T15:15:44Z 2020 book ONIX_20210501_9783039361700_354 9783039361700 9783039361717 https://directory.doabooks.org/handle/20.500.12854/68608 eng application/octet-stream Attribution 4.0 International https://mdpi.com/books/pdfview/book/2370 https://mdpi.com/books/pdfview/book/2370 MDPI - Multidisciplinary Digital Publishing Institute 10.3390/books978-3-03936-171-7 10.3390/books978-3-03936-171-7 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783039361700 9783039361717 144 Basel, Switzerland open access |
| spellingShingle | 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 thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general Chemical Bonding in Crystals and Their Properties |
| title | 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_short | Chemical Bonding in Crystals and Their Properties |
| title_sort | chemical bonding in crystals and their properties |
| topic | 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 thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general |
| topic_facet | 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 thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general |
| url | ONIX_20210501_9783039361700_354 |