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Photochemical Reactions in A2X2 (A = Na; Rb and X = S; Se; Te): A Path toward Nonclassical Bonds in Metastable Compounds
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DOI:10.1021/acs.inorgchem.6c01123.png)
Abstract
En 中文
Materials with nonclassical bonding, such as hypervalently bonded square-net materials, can have unusual properties necessary for the development of new technologies. However, unusual bonding, oxidation states, or coordination are typically found in metastable phases, which are hard to reach using common solid-state chemistry methods. We investigate photochemical reactions as a means of reaching metastable structures. We computationally examine the photochemical conversion of A2X2 (A = Na, Rb, and X = S, Se, Te) from experimentally known geometries with classical bonding into metastable structures with nonclassical, hypervalently bonded chains. We identify three metastable products realized at different light intensities.
Keywords:
Cancer
Chemical structure
Materials
Oligomers
Space group
Journal
IF:
4.7
Papers:
4.9W
Citations:
10.5W
