气态 BMoO4 的热力学性质与结构。

Thermodynamic properties and structure of gaseous BMoO4.

机构信息

Department of Chemistry, St. Petersburg State University, 198504 St. Petersburg, Russia.

出版信息

Dalton Trans. 2013 Jan 28;42(4):1210-4. doi: 10.1039/c2dt31372c.

Abstract

The stability of gaseous BMoO(4) was confirmed by Knudsen effusion mass spectrometry. The gas-phase reaction involving B(2)O(3), MoO(2), MoO(3) and BMoO(4) was studied. On the basis of the equilibrium constants, the standard formation and atomization enthalpies of gaseous BMoO(4) (-744.1 ± 24 kJ mol(-1) and 2963 ± 25 kJ mol(-1), respectively) at 298 K were determined. To obtain the structure parameters and vibrational frequencies of gaseous BMoO(4), a quantum chemical investigation of this molecule was undertaken. Based on the critical analysis of the literature data concerning the standard formation enthalpies of gaseous BWO(4), BPO(4) and BPO(3), we adopted new values for Δ(f)H(0)(298) which are equal (-934.4 ± 29.3 kJ mol(-1), -975.8 ± 16.2 kJ mol(-1) and -717.0 ± 19.3 kJ mol(-1)), respectively.

摘要

气态 BMoO(4) 的稳定性通过 Knudsen 蒸汽压质谱法得到了证实。研究了涉及 B(2)O(3)、MoO(2)、MoO(3)和 BMoO(4)的气相反应。基于平衡常数，确定了 298 K 时气态 BMoO(4)的标准生成焓和原子化焓分别为(-744.1 ± 24 kJ mol(-1)和 2963 ± 25 kJ mol(-1))。为了获得气态 BMoO(4)的结构参数和振动频率，对该分子进行了量子化学研究。基于对有关气态 BWO(4)、BPO(4)和 BPO(3)的标准生成焓的文献数据的严格分析，我们采用了新的 Δ(f)H(0)(298)值，分别为(-934.4 ± 29.3 kJ mol(-1)、-975.8 ± 16.2 kJ mol(-1)和-717.0 ± 19.3 kJ mol(-1))。