Department of Chemistry, University of Helsinki, P.O. Box 55, FIN-00014 Helsinki, Finland.
J Phys Chem A. 2010 Apr 1;114(12):4181-7. doi: 10.1021/jp1001622.
We report three new noble-gas molecules prepared in low-temperature Kr and Xe matrices from the HCCF precursor by UV photolysis and thermal annealing. The identified molecules are two noble-gas hydrides HNgCCF (Ng = Kr and Xe) and a molecule of another type, HCCKrF. These molecules are assigned with the help of ab initio calculations. All strong absorptions predicted by theory are found in experiments with proper deuteration shifts. The experiments and theory suggest a higher stability against dissociation of HNgCCF molecules compared to HNgCCH reported previously. Surprisingly, only very tentative traces of HCCXeF, which is computationally very stable, are found in experiments. No strong evidence of similar argon compounds is found here.
我们报道了三种新的稀有气体分子，它们是通过 UV 光解和热退火从 HCCF 前体制备的低温 Kr 和 Xe 基质中得到的。鉴定出的分子是两种稀有气体氢化物 HNgCCF（Ng=Kr 和 Xe）和另一种类型的分子 HCCKrF。这些分子是借助从头算计算来确定的。所有通过理论预测的强吸收峰都在适当氘化位移的实验中被发现。实验和理论表明，与之前报道的 HNgCCH 相比，HNgCCF 分子对离解的稳定性更高。令人惊讶的是，实验中仅发现了计算上非常稳定的 HCCXeF 的非常微弱的痕迹。在这里没有发现类似的氩化合物的有力证据。
