| 词条 | Trifluorooxonium |
| 释义 |
The trifluorooxonium cation is a hypothetical positively charged polyatomic ion with chemical formula {{chem|OF|3|+}}. It is structurally equivalent to the hydronium ion where the hydrogen atoms surrounding the central oxygen atom have been replaced by fluorine, and is isoelectronic with nitrogen trifluoride. This cation would be an example of oxygen in the +4 oxidation state. The {{chem|OF|3|+}} cation was shown to be vibrationally stable at all levels of theory applied (HF, MP2, CCSD(T)). {{chem|OF|3|+}} was proposed to possess a pyramidal structure with an O–F bond length of 1.395 Å and F–O–F bond angles of 104.2° (CCSD(T) level of theory). The {{chem|F|+}} detachment energy of the {{chem|OF|3|+}} cation was calculated to be +110.1 kcal mol−1. However, the low-temperature reaction of {{chem|F|2|}}, {{chem|OF|2|}} and {{chem|AsF|5|}} under UV irradiation, besides unreacted starting materials only yielded the dioxygenyl salt {{chem|O|2|+|[AsF|6|]|-}}. The oxidation of {{chem|OF|2|}} with {{chem|KrF|+}} salts also failed to produce evidence for the title cation.[1] The formation of the hypothetical salt {{chem|OF|3|+|[AsF|6|]|-}} was calculated to be about thermoneutral, but slightly unfavorable with {{chem|OF|2|}}(g) + {{chem|F|2|}}(g) + {{chem|AsF|5|}}(g) → {{chem|OF|3|+| [AsF|6|]|-}}(s) = +10.5 kcal mol−1. See also
References1. ^{{Cite journal | last1 = Crawford | first1 = M. | last2 = Klapötke | doi = 10.1016/S0022-1139(99)00139-6 | first2 = T. M. | title = The trifluorooxonium cation, {{chem|OF|3|+}} | journal = Journal of Fluorine Chemistry | volume = 99 | issue = 2 | pages = 151–156 | year = 1999 | pmid = | pmc = }} 2 : Oxycations|Hypothetical chemical compounds |
| 随便看 |
|
开放百科全书收录14589846条英语、德语、日语等多语种百科知识，基本涵盖了大多数领域的百科知识，是一部内容自由、开放的电子版国际百科全书。