Probing the structures of gas-phase rhodium cluster cations by far-infrared spectroscopy

Harding D.J.; Gruene P.; Haertelt M.; Meijer G.; Fielicke A.; Hamilton S.M.; Hopkins W.S.; MacKenzie S.R.; Neville S.P.; Walsh T.R.

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Probing the structures of gas-phase rhodium cluster cations by far-infrared spectroscopy

机译：用远红外光谱探测气相铑簇阳离子的结构

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The geometric structures of small cationic rhodium clusters Rh n+ (n = 6-12) are investigated by comparison of experimental far-infrared multiple photon dissociation spectra with spectra calculated using density functional theory. The clusters are found to favor structures based on octahedral and tetrahedral motifs for most of the sizes considered, in contrast to previous theoretical predictions that rhodium clusters should favor cubic motifs. Our findings highlight the need for further development of theoretical and computational methods to treat these high-spin transition metal clusters.

机译：通过比较实验远红外多光子解离光谱与使用密度泛函理论计算的光谱，研究了小型阳离子铑簇Rh n +（n = 6-12）的几何结构。对于先前考虑的铑簇应该偏爱立方图案的理论预测，发现该簇对于大多数考虑的尺寸而言都倾向于基于八面体和四面体图案的结构。我们的发现突出表明，需要进一步发展理论和计算方法来处理这些高自旋过渡金属簇。

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《The Journal of Chemical Physics》 |2010年第21期|共9页
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Harding D.J.; Gruene P.; Haertelt M.; Meijer G.; Fielicke A.; Hamilton S.M.; Hopkins W.S.; MacKenzie S.R.; Neville S.P.; Walsh T.R.;
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1. Probing the structures of gas-phase rhodium cluster cations by far-infrared spectroscopy [J] . Harding D.J., Gruene P., Haertelt M., The Journal of Chemical Physics . 2010,第21期

机译：用远红外光谱探测气相铑簇阳离子的结构
2. Structures of Rhodium Oxide Cluster Cations Rh7Om+ (m=4-7, 12, 14) Revealed by Infrared Multiple Photon Dissociation Spectroscopy [J] . Mafune Fumitaka, Koyama Kohei, Nagata Toshiaki, The journal of physical chemistry, C. Nanomaterials and interfaces . 2019,第10期

机译：通过红外多光子解离光谱透露的氧化铑聚类阳离子RH7OM +（M = 4-7,12,14）的结构
3. Probing C–O bond activation on gas-phase transition metal clusters: Infrared multiple photon dissociation spectroscopy of Fe, Ru, Re, and W cluster CO complexes [J] . Jonathan T. Lyon, Philipp Gruene, Andre Fielicke, The Journal of Chemical Physics . 2009,第18期

机译：探测气相过渡金属簇上的C–O键活化：Fe，Ru，Re和W簇CO配合物的红外多光子解离光谱
4. Gas-Phase Structures of Proline-Metal Cation Complexes M(Proline-H)(Proline)+ Using IRMPD Spectroscopy, SORI-CID, and Computational Chemistry [C] . Yasaman Jami Alahmadi, Travis D. Fridgen ASMS Conference on Mass Spectrometry and Allied Topics . 2015

机译：脯氨酸 - 金属阳离子配合物的气相结构M（脯氨酸-H）（脯氨酸） +使用IRMPD光谱，Sori-CID和计算化学
5. Probing Electrocatalytic and Photocatalytic Processes with Structure-Specific Spectroscopies [D] . Hicks, Robert Paul. 2019

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6. Electronic structure of two catalytic states of the FeFe hydrogenase H-cluster as probed by pulse electron paramagnetic resonance spectroscopy [O] . Guodong Rao, R. David Britt -1

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7. Probing the structures of gas-phase rhodium cluster cations by far-infrared spectroscopy. [O] . Harding, DJ, Gruene, P, Haertelt, M, 2010

机译：用远红外光谱探测气相铑簇簇阳离子的结构。
8. Atomic-Resolution Scanning Tunneling Microscopy and Infrared Spectroscopy as Combined In-Situ Probes of Electrochemical Adlayer Structure: Carbon Monoxide on Rhodium(111). [R] . Yau, S. L., Gao, X., Chang, S. C., 1991

机译：原子分辨率扫描隧道显微镜和红外光谱作为电化学附着层结构的原位探针：铑上的一氧化碳（111）。

Probing the structures of gas-phase rhodium cluster cations by far-infrared spectroscopy

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