首页 | 本学科首页   官方微博 | 高级检索  
     检索      


Oxidation State 10 Exists
Authors:Haoyu S Yu  Prof Donald G Truhlar
Institution:Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, MN, USA
Abstract:In a recent paper, Wang et al. found an iridium‐containing compound with a formal oxidation state of 9. 5 This is the highest oxidation state ever found in a stable compound. To learn if this is the highest chemical oxidation state possible, Kohn–Sham density functional theory was used to study various compounds, including PdO42+, PtO42+, PtO3F22+, PtO4OH+, PtO5, and PtO4SH+, in which the metal has an oxidation state of 10. It was found that PtO42+ has a metastable state that is kinetically stable with a barrier height for decomposition of 31 kcal mol?1 and a calculated lifetime of 0.9 years. All other compounds studied would readily decompose to lower oxidation states.
Keywords:density functional calculation  formal oxidation state  oxidation state  platinum tetroxide dication
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号