Matches in SemOpenAlex for { <https://semopenalex.org/work/W2885867079> ?p ?o ?g. }
- W2885867079 endingPage "7061" @default.
- W2885867079 startingPage "7051" @default.
- W2885867079 abstract "Density functional theory (DFT) calculations and infrared multiple photon dissociation (IRMPD) spectroscopy are employed to probe [TM·(B12H12)]- and [TM·(B12H12)2]2- clusters [TM = Ag(I), Cu(I), Co(II), Ni(II), Zn(II), Cd(II)]. A comparison is made between the charge-transfer properties of the clusters containing the hydrogenated dodecaborate dianions, B12H122-, and the fluorinated analogues, B12F122-, for clusters containing Cd(II), Co(II), Ni(II), and Zn(II). IRMPD of the [TM·(B12H12)]- and [TM·(B12H12)2]2- species yields B12H11- via hydride abstraction and B12H12- in all cases. To further explore the IR-induced charge-transfer properties of the B12X122- (X = H, F) cages, mixed-cage [TM(B12H12)(B12F12)]2- [TM = Co(II), Ni(II), Zn(II), Cd(II)] clusters were investigated. IRMPD of the mixed-cage species yielded appreciable amounts of B12F12- and B12H12- in most cases, indicating that charge-transfer to the central TM cation is a favorable process; formation of B12F12- is the dominant process for the Co(II) and Ni(II) mixed-cage complexes. In contrast, the Zn(II) and Cd(II) mixed-cage complexes preferentially produced fragments of the form B xH yF z-/2-, suggesting that H/F scrambling and/or fusion of the boron cages occurs along the IRMPD pathway." @default.
- W2885867079 created "2018-08-22" @default.
- W2885867079 creator A5006345488 @default.
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- W2885867079 creator A5044388021 @default.
- W2885867079 creator A5044750583 @default.
- W2885867079 creator A5051861613 @default.
- W2885867079 creator A5080152137 @default.
- W2885867079 date "2018-08-15" @default.
- W2885867079 modified "2023-09-25" @default.
- W2885867079 title "Infrared-Driven Charge-Transfer in Transition Metal-Containing B12X122– (X = H, F) Clusters" @default.
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