價層電子對互斥理論預測,17族的三氟化物都會具有T形分子結構。所有已知的鹵素的三氟化物都有這種分子結構:AX 3E 2,即三個配位體(X)和兩個孤電子對(E)圍繞著一個中心原子(A)。如果不考慮相對論效應,TsF 3應該會和較輕同系物一樣具有彎曲T形分子結構。不過,鿬的7s殼層電子應該不會參與任何化學反應,所以價層電子對互斥理論所預測的是一種三方金字塔形分子結構(AX 3E 1)。更加細緻複雜的理論則顯示,這一分子結構並不是TsF 3的最佳能量狀態。這些理論所預測的是三方平面分子結構(AX 3E 0)。價層電子對互斥理論有可能無法準確預測超重元素的化合物分子結構。[96]另外,自旋-軌道作用大大加強了TsF 3分子的穩定性。這可能是因為,鿬和氟之間電負性的巨大差異造成分子呈現一些離子的性質。[96]
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