The trifluorooxonium cation is a hypothetical positively charged polyatomic ion with chemical formula 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 It is structurally equivalent to the hydronium ion where the hydrogen atoms surrounding the central oxygen atom have been replaced by fluorine, and is isoelectronic with nitrogen trifluoride.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 unprecedented +4 oxidation state. The formation of the hypothetical salt OF+3[AsF6]− was calculated to be about thermoneutral, but slightly unfavorable with OF2(g) + F2(g) + AsF5(g) → OF+3[AsF6]−(s) = +10.5 kcal mol−1.
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| - Trifluoroxonium (cs)
- Trifluorooxonium (en)
- 三氟𨦡 (zh)
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| - 三氟𨦡阳离子是一种假想的阳离子， 化学式 OF+3。它的结构类似水合氢离子，不过所有的氢原子都被氟原子取代。它和三氟化氮是等电子体。在这个阳离子中，氧的氧化态为 +4。 在所有应用的理论水平（HF，MP2，CCSD(T)）下，OF+3阳离子均显示出振动稳定性。 OF+3 的结构可能是三角锥结构， O–F 键长为 1.395 Å ， F–O–F 键角为 104.2° (CCSD(T) 理论)。 计算给出OF+3阳离子的F+脱离能为+110.1 kcal mol−1。但是，F2，OF2和AsF5被紫外线照射下的低温反应，除了未反应的原料外，只会产生二氧基盐O+2[AsF6]−。 KrF+盐对OF2的氧化也无法提供三氟钅羊阳离子存在的证据。 假想盐 OF+3[AsF6]− 的生成计算得出大约是热中性的，但是有点不利，因为反应是有点吸热的：OF2(g) + F2(g) + AsF5(g) → OF+3[AsF6]−(s) = +10.5 kcal mol−1。 (zh)
- Trifluoroxonium je název hypotetického kationtu se vzorcem OF +3 . Je strukturním ekvivalentem hydroniového iontu, ve kterém jsou atomy vodíku obklopující centrální kyslíkový atom nahrazeny atomy fluoru, a je isoelektronický s fluoridem dusitým. Atom kyslíku v něm má oxidační číslo +4. Vznik hypotetické soli OF +3 [AsF6]− by měl být termodynamicky téměř neutrální, ovšem mírně nevýhodný: OF2(g) + F2(g) + AsF5(g) → O +2 [AsF6]−(s) = +44,0 kJ mol−1. (cs)
- The trifluorooxonium cation is a hypothetical positively charged polyatomic ion with chemical formula 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 It is structurally equivalent to the hydronium ion where the hydrogen atoms surrounding the central oxygen atom have been replaced by fluorine, and is isoelectronic with nitrogen trifluoride.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 unprecedented +4 oxidation state. The formation of the hypothetical salt OF+3[AsF6]− was calculated to be about thermoneutral, but slightly unfavorable with OF2(g) + F2(g) + AsF5(g) → OF+3[AsF6]−(s) = +10.5 kcal mol−1. (en)
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| - Trifluoroxonium je název hypotetického kationtu se vzorcem OF +3 . Je strukturním ekvivalentem hydroniového iontu, ve kterém jsou atomy vodíku obklopující centrální kyslíkový atom nahrazeny atomy fluoru, a je isoelektronický s fluoridem dusitým. Atom kyslíku v něm má oxidační číslo +4. Ion OF +3 se ukázal jako vibračně stabilní na všech úrovních, na kterých byl teoreticky zkoumán (HF, MP2, CCSD(T)). Předpokládá se, že má pyramidální strukturu s vazbou O–F o délce 139,5 pm a vazebným úhlem F–O–F 104,2°. Energie odštěpení iontu F+ byla vypočítána na +461 kJ/mol. Nízkoteplotními reakcemi F2, OF2 a AsF5 za působení ultrafialového záření se tvořily pouze dioxygenylové soli O +2 [AsF6]−. Oxidací OF2 solemi KrF+ se rovněž nepodařilo tento kation získat. Vznik hypotetické soli OF +3 [AsF6]− by měl být termodynamicky téměř neutrální, ovšem mírně nevýhodný: OF2(g) + F2(g) + AsF5(g) → O +2 [AsF6]−(s) = +44,0 kJ mol−1. (cs)
- The trifluorooxonium cation is a hypothetical positively charged polyatomic ion with chemical formula 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 unprecedented +4 oxidation state. The OF+3 cation was shown to be vibrationally stable at all levels of theory applied (HF, MP2, CCSD(T)). 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 F+ detachment energy of the OF+3 cation was calculated to be +110.1 kcal mol−1. However, the low-temperature reaction of F2, OF2 and AsF5 under UV irradiation, besides unreacted starting materials only yielded the dioxygenyl salt O+2[AsF6]−. The oxidation of OF2 with KrF+ salts also failed to produce evidence for the title cation. The formation of the hypothetical salt OF+3[AsF6]− was calculated to be about thermoneutral, but slightly unfavorable with OF2(g) + F2(g) + AsF5(g) → OF+3[AsF6]−(s) = +10.5 kcal mol−1. (en)
- 三氟𨦡阳离子是一种假想的阳离子， 化学式 OF+3。它的结构类似水合氢离子，不过所有的氢原子都被氟原子取代。它和三氟化氮是等电子体。在这个阳离子中，氧的氧化态为 +4。 在所有应用的理论水平（HF，MP2，CCSD(T)）下，OF+3阳离子均显示出振动稳定性。 OF+3 的结构可能是三角锥结构， O–F 键长为 1.395 Å ， F–O–F 键角为 104.2° (CCSD(T) 理论)。 计算给出OF+3阳离子的F+脱离能为+110.1 kcal mol−1。但是，F2，OF2和AsF5被紫外线照射下的低温反应，除了未反应的原料外，只会产生二氧基盐O+2[AsF6]−。 KrF+盐对OF2的氧化也无法提供三氟钅羊阳离子存在的证据。 假想盐 OF+3[AsF6]− 的生成计算得出大约是热中性的，但是有点不利，因为反应是有点吸热的：OF2(g) + F2(g) + AsF5(g) → OF+3[AsF6]−(s) = +10.5 kcal mol−1。 (zh)
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