Infrared-Driven Charge Transfer in Transition Metal B12F12 Clusters

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• 作者：W. Scott Hopkins ; Patrick J. J. Carr ; Denzel Huang ; Kevin P. Bishop ; Michael Burt ; Terrance B. McMahon ; Vincent Steinmetz ; Eric Fillion
• 刊名：Journal of Physical Chemistry A
• 出版年：2015
• 出版时间：August 6, 2015
• 年：2015
• 卷：119
• 期：31
• 页码：8469-8475
• 全文大小：355K
• ISSN：1520-5215

文摘

A combination of infrared multiple photon dissociation (IRMPD) spectroscopy and density functional theory calculations is used to investigate the structures and charge-transfer properties of clusters containing transition metals (TM = Co(II), Ni(II), Cu(I), Zn(II), Rh(III), Pd(II), Ag(I), Cd(II)) and the dodecafluorododecaboron dianion, Bb>12b>Fb>12b>^{2鈥?/sup>. In all cases, IRMPD resulted in transfer of electron density to the metal center and production of Bb>12b>Fb>12b>鈥?/sup>. Metals that exhibit the highest degree of charge transfer are found to induce reaction among the Bb>12b>Fb>12b> cages, leading to production of Bb>nb>Fb>mb> (up to n = m = 24).}