The PtAl(-) and PtAl2(-) anions: theoretical and photoelectron spectroscopic characterization.
نویسندگان
چکیده
We report a joint photoelectron spectroscopic and theoretical study of the PtAl(-) and PtAl2(-) anions. The ground state structures and electronic configurations of these species were identified to be C∞v, (1)Σ(+) for PtAl(-), and C2v, (2)B1 for PtAl2(-). Structured anion photoelectron spectra of these clusters were recorded and interpreted using ab initio calculations. Good agreement between theory and experiment was found. All experimental features were successfully assigned to one-electron transitions from the ground state of the anions to the ground or excited states of the corresponding neutral species.
منابع مشابه
Computational and photoelectron spectroscopic study of the dipole-bound anions, indole(H2O)1,2 (.).
We report our joint computational and anion photoelectron spectroscopic study of indole-water cluster anions, indole(H2O)1,2 (-). The photoelectron spectra of both cluster anions show the characteristics of dipole-bound anions, and this is confirmed by our theoretical computations. The experimentally determined vertical electron detachment (VDE) energies for indole(H2O)1 (-) and indole(H2O)2 (-...
متن کاملPhotoelectron spectroscopic and computational study of the PtMgH3,5(-) cluster anions.
The two cluster anions, PtMgH3(-) and PtMgH5(-), were studied by photoelectron spectroscopy and theoretical calculations. Experimentally-determined electron affinity (EA) and vertical detachment energy (VDE) values were compared with those predicted by our computations; excellent agreement was found. The calculated structures of PtMgH3(-) and PtMgH3 both exhibit η2-bonded H2 moieties. Activatio...
متن کاملTwo-dimensional Manganese(II) Coordination Polymer Complex Containing Aqua, Diethyl Phosphate and Chloride Ligands: Synthesis, Spectroscopic Characterization, Thermal Analyses, and Crystal Structure
A new two-dimensional manganese(II) coordination polymer, [Mn(μ-DEP)(μ-Cl)(H2O)2]n (1) (DEP is diethyl phosphate), was prepared from the reaction of MnCl2.4H2O and TEP (TEP is triethyl phosphate) ligand in mixture of H2O/CH3OH (1:10) at 40 °C. Suitable crystals of this complex for crystal structure determination were obtained by slow evaporation of the produced colorless solution at room temper...
متن کاملSpectroscopic characterization of the isolated SF6- and C4F8- anions: observation of very long harmonic progressions in symmetric deformation modes upon photodetachment.
Spectroscopic studies of the SF6- and c-C4F8- anions are reported to provide experimental benchmarks for theoretical predictions of their structures and electron binding energies. The photoelectron spectrum of SF6- is dominated by a long progression in the S-F stretching mode, with an envelope consistent with theoretical predictions that the anion preserves the Oh symmetry of the neutral, but h...
متن کاملPhotoelectron spectroscopy of small IBr-(CO2)n (n=0-3) cluster anions.
We report the photoelectron spectra of small IBr-(CO2)n cluster anions (n=0-3). The vibrational state-resolved spectrum of IBr- permits reliable identification of the origins of the excited A' 3Pi2 and A 3Pi1 states of neutral IBr through a high-quality Franck-Condon spectral simulation. As a result, we directly determine several important spectroscopic parameters: the adiabatic electron affini...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 140 16 شماره
صفحات -
تاریخ انتشار 2014