Collision-Induced Dissociation of Undecagold Clusters Protected by Mixed Ligands [Au11(PPh3)8X2]+ (X = Cl, C≡CPh),ACS Omega

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Collision-Induced Dissociation of Undecagold Clusters Protected by Mixed Ligands [Au11(PPh3)8X2]+ (X = Cl, C≡CPh)
ACS Omega ( IF 3.7 ) Pub Date : 2018-06-11 00:00:00 , DOI: 10.1021/acsomega.8b01096
Ryohei Tomihara ₁ , Keisuke Hirata ₁ , Hiroki Yamamoto ₁ , Shinjiro Takano ₁ , Kiichirou Koyasu _{1,

2} , Tatsuya Tsukuda _{1,

2}

Affiliation

We herein investigated collision-induced dissociation (CID) processes of undecagold clusters protected by mixed ligands [Au₁₁(PPh₃)₈X₂]⁺ (X = Cl, C≡CPh) using mass spectrometry and density functional theory calculations. The results showed that the CID produced fragment ions [Au_x(PPh₃)_yX_z]⁺ with a formal electron count of eight via sequential loss of PPh₃ ligands and AuX(PPh₃) units in a competitive manner, indicating that the CID channels are governed by the electronic stability of the fragments. Interestingly, the branching fraction of the loss of the AuX(PPh₃) units was significantly smaller for X = C≡CPh than that for X = Cl. We ascribed the effect of X on the branching fractions of dissociations of PPh₃ and AuX(PPh₃) to the steric difference.

中文翻译：

混合配体保护的未分解簇的碰撞诱导解离[Au ₁₁（PPh ₃）₈ X ₂ ] ⁺（X = Cl，C≡CPh）

我们在这里使用质谱和密度泛函理论计算研究了由混合配体[Au ₁₁（PPh ₃）₈ X ₂ ] ⁺（X = Cl，C≡CPh）保护的未分解簇的碰撞诱导解离（CID）过程。结果表明，CID通过顺序损失PPh ₃配体和AuX（PPh ₃）产生碎片离子[Au _x（PPh ₃）_y X _z ] ⁺，其形式电子数为8。）单元以竞争的方式进行展示，表明CID通道由片段的电子稳定性控制。有趣的是，X = C = CPh时，AuX（PPh ₃）单元损失的支化分数明显小于X = Cl。我们将X对PPh ₃和AuX（PPh ₃）的解离支化分数的影响归因于空间差异。

更新日期：2018-06-11

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