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• W2329287441 abstract "Charge-dependent trends in the structures, vibrational frequencies, and binding energies of binary [AuCO]q and [AuO2]q and ternary [O2AuCO]q complexes (q = −1,0,+1), have been investigated using density functional theory calculations. Three different geometrical motifs, given descriptive names of “separated”, “pre-reactive”, and “long-range”, are identified for the ternary complexes. For the binary systems, the general trend is that the complexes become more diffuse as the charge becomes more negative, having longer intermolecular bond distances and weaker binding energies. The trends shown by the ternary complexes are more complicated, and are different for the various geometrical motifs. However, a general trend is that there is a cooperative interaction involving both the CO and O2 with the Au center, which becomes more pronounced as the negative charge on the complexes increases from cationic to neutral to anionic. This cooperative interaction leads to increased electron density on the O2 moiety, as is reflected in the bond-lengths and vibrational frequencies. Furthermore, it is found that for the pre-reactive complexes, the role of the Au center is to stabilize the formation of a conjugated π-system between the CO and O2 molecules." @default.
• W2329287441 created "2016-06-24" @default.
• W2329287441 creator A5057388137 @default.
• W2329287441 creator A5087103848 @default.
• W2329287441 date "2012-09-06" @default.
• W2329287441 modified "2023-10-18" @default.
• W2329287441 title "Charge-Dependent Trends in Structures and Vibrational Frequencies of [CO-Au-O₂]^<i>q</i> (<i>q</i> = −1, 0, +1) Complexes: Evidence for Cooperative Interactions" @default.
• W2329287441 cites W1647388797 @default.
• W2329287441 cites W1971275758 @default.
• W2329287441 cites W1971362390 @default.
• W2329287441 cites W1975002236 @default.
• W2329287441 cites W1977928443 @default.
• W2329287441 cites W1978756330 @default.
• W2329287441 cites W1979945615 @default.
• W2329287441 cites W1980642665 @default.
• W2329287441 cites W1984191478 @default.
• W2329287441 cites W1984599229 @default.
• W2329287441 cites W1985548136 @default.
• W2329287441 cites W1986647570 @default.
• W2329287441 cites W1987329715 @default.
• W2329287441 cites W1988193938 @default.
• W2329287441 cites W1988466132 @default.
• W2329287441 cites W1993077801 @default.
• W2329287441 cites W1993362003 @default.
• W2329287441 cites W1993383767 @default.
• W2329287441 cites W1995987176 @default.
• W2329287441 cites W1999048791 @default.
• W2329287441 cites W2002194503 @default.
• W2329287441 cites W2003877035 @default.
• W2329287441 cites W2004515530 @default.
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• W2329287441 cites W2011147270 @default.
• W2329287441 cites W2011254772 @default.
• W2329287441 cites W2011314414 @default.
• W2329287441 cites W2013280577 @default.
• W2329287441 cites W2015723183 @default.
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• W2329287441 cites W2030580274 @default.
• W2329287441 cites W2033830521 @default.
• W2329287441 cites W2034815131 @default.
• W2329287441 cites W2038767330 @default.
• W2329287441 cites W2048652196 @default.
• W2329287441 cites W2049996223 @default.
• W2329287441 cites W2050453167 @default.
• W2329287441 cites W2053415214 @default.
• W2329287441 cites W2053671147 @default.
• W2329287441 cites W2055306924 @default.
• W2329287441 cites W2055571710 @default.
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• W2329287441 cites W2069357469 @default.
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• W2329287441 doi "https://doi.org/10.1021/jp304153c" @default.
• W2329287441 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22953778" @default.
• W2329287441 hasPublicationYear "2012" @default.
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