What question did this study set out to answer?

Investigate the electronic ground states and chemical reactivities of cationic late-transition-metal oxides in the gas phase.

November 1, 1994Journal of the American Chemical Society

Electronic Structures and Gas-Phase Reactivities of Cationic Late-Transition-Metal Oxides

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Authors

AFAndreas FiedlerKlinikum St. Marien Amberg DSDetlef SchroederUniversité Paris-Sud SSSason ShaikUniversité Paris-Sud

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Implication

Spectroscopic and computational analysis reveals electronic structures of late-transition-metal oxide cations, indicating key drivers of gas-phase reactivity.

Key Points

Investigate the electronic ground states and chemical reactivities of cationic late-transition-metal oxides in the gas phase.
Evaluated positively charged late-transition-metal oxide species using gas-phase reaction experiments and electronic structure theory.
Examined valence orbital configurations, bond orders, and spin-state surfaces governing oxidation dynamics.
Demonstrated that low-lying electronic states and spin transitions strongly govern the reaction barriers and pathways of late-transition-metal oxide cations.
Determined that metal-oxygen bond polarization and radical character at oxygen dictate the efficiency of gas-phase substrate functionalization.

Cite This Study

Fiedler et al. (1994) studied this question.

synapsesocial.com/papers/6a7e24e0b8ddfe00e92f388e https://doi.org/10.1021/ja00102a043

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Implication

Spectroscopic and computational analysis reveals electronic structures of late-transition-metal oxide cations, indicating key drivers of gas-phase reactivity.

Electronic Structures and Gas-Phase Reactivities of Cationic Late-Transition-Metal Oxides

Discussion

Member takes

Implication

Key Points

Cite This Study

Electronic Structures and Gas-Phase Reactivities of Cationic Late-Transition-Metal Oxides

Discussion

Member takes

Implication

Key Points

Cite This Study

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