Abstract

The vibrational-rotational partition functions and thermodynamic functions of ArO and ArO⁺ have been calculated in the temperature range of 298.15–10 000 K based on the interatomic interaction potentials. The formation enthalpies are found to be \({{\Delta }_{f}}H^\circ \)(ArO, 298.15 K) = 243 ± 5 kJ mol^–1 and \({{\Delta }_{f}}H^\circ \)(ArO⁺, 298.15 K) = 1508 ± 5 kJ mol^–1. The calculation results have been deposited into the IVTANTERMO database.

中文翻译：

---

ArO和ArO +的热力学函数

摘要

根据原子间的相互作用势，在298.15-10 000 K的温度范围内计算了ArO和ArO ⁺的振动-旋转分配函数和热力学函数。发现形成焓为\（{{\ Delta __ {f}} H ^ \ circ \）（ArO，298.15 K）= 243±5 kJ mol ^–1和\（{{\ Delta} _ {f }} H ^ \ circ \）（ArO ⁺，298.15 K）= 1508±5 kJ mol ^–1。计算结果已存储到IVTANTERMO数据库中。