Anion photoelectron spectroscopy of Au−(H2O)1,2, <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si5.gif" display="inline" overflow="scroll"><mml:mrow><mml:msubsup><mml:mrow><mml:mtext>Au</mml:mtext></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow><mml:mrow><mml:mo>-</mml:mo></mml:mrow></mml:msubsup></mml:mrow></mml:math>(D2O)1–4, and AuOH−

Zheng, Wei‐Jun; Li, Xiang; Eustis, Soren N.; Grubisic, Andrej; Thomas, Owen C.; Clercq, Helen De; Bowen, Kit H.

doi:10.1016/j.cplett.2007.07.036

Cited by 50 publications

(46 citation statements)

References 20 publications

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“…52 Finally, it is also worth commenting on the similarity of the observed spectrum with the PES spectrum recorded for AuOH − by Bowen and co-workers. 53 The observed spectral envelope of AuOH, involving six quanta of the Au-O stretch (ν 3 ), is attributed to a shortening of the Au-O bond by 12 pm, similar to that predicted for AuC 2 . This similarity supports our proposal that the observed vibronic structure arises from excitation out of a bent 3 A state that is not the global minimum.…”

Section: Discussionmentioning

confidence: 68%

Spectroscopic observation of gold-dicarbide: Photodetachment and velocity map imaging of the AuC2 anion

Visser

Addicoat

Gascooke

et al. 2013

The Journal of Chemical Physics

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Photoelectron spectra following photodetachment of the gold dicarbide anion, ${\rm AuC}_2^ - $ AuC 2−, have been recorded using the velocity map imaging technique at several excitation wavelengths. The binding energy spectra show well-defined vibrational structure which, with the aid of computational calculations and Franck-Condon simulations, was assigned to a progression in the Au–C stretching mode, ν3. The experimental data indicate that the features in the spectrum correspond to a 2A′ ← 3A′ transition, involving states which we calculate to have bond angles ∼147° but with a low barrier to linearity.

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Section: Discussionmentioning

confidence: 68%

Spectroscopic observation of gold-dicarbide: Photodetachment and velocity map imaging of the AuC2 anion

Visser

Addicoat

Gascooke

et al. 2013

The Journal of Chemical Physics

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“…[20][21][22][23] An experimental estimate for Au À ···HOH adduct formation is 10.38 kcal mol À1 . [24] In ab roader context, the bond strengths for our Au I ···HOH interactions in 2·H 2 O and 3·H 2 O fall between those calculated for the water dimer,H 2 O···H 2 O(ca. À5kcal mol À1 ) [25] and hydrogen bonded Cl À in Cl À ···H 2 O (À13.5 kcal mol À1 ).…”

mentioning

confidence: 56%

Preparing Gold(I) for Interactions with Proton Donors: The Elusive [Au]⋅⋅⋅HO Hydrogen Bond

et al. 2015

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MP2 and DFT calculations with correlation consistent basis sets indicate that isolated linear anionic dialkylgold(I) complexes form moderately strong (ca. 10 kcal mol(-1) ) Au⋅⋅⋅H hydrogen bonds with single H2 O molecules as donors in the absence of sterically demanding substituents. Relativistic effects are critically important in the attraction. Such bonds are significantly weaker in neutral, strong σ-donor N-heterocyclic carbene (NHC) complexes (ca. 5 kcal mol(-1) ). The overall association (>11 kcal mol(-1) ), however, is strengthened by co-operative, synergistic classical hydrogen bonding when the NHC ligands bear NH units. Further manipulation of the interaction by ligands positioned trans to the carbene, is possible.

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“…The interaction energies, E Int =

E \binom{BSSE}{AB}

− E A − E B , for the adducts of 2 and 3 with water, also included in Figure , can be compared to those calculated for Au − ⋅H 2 O by us (−11.6 kcal mol −1 ) and previously by others (−11.36 to −12.43 kcal mol −1 ) . An experimental estimate for Au − ⋅⋅⋅HOH adduct formation is 10.38 kcal mol −1 . In a broader context, the bond strengths for our Au I ⋅⋅⋅HOH interactions in 2 ⋅ H 2 O and 3 ⋅ H 2 O fall between those calculated for the water dimer, H 2 O⋅⋅⋅H 2 O (ca.…”

Section: Figurementioning

confidence: 84%

Preparing Gold(I) for Interactions with Proton Donors: The Elusive [Au]⋅⋅⋅HO Hydrogen Bond

et al. 2015

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MP2 and DFT calculations with correlation consistent basis sets indicate that isolated linear anionic dialkylgold(I) complexes form moderately strong (ca. 10 kcal mol À1)A u···H hydrogen bonds with single H 2 Om olecules as donors in the absence of sterically demanding substituents. Relativistic effects are critically important in the attraction. Such bonds are significantly weaker in neutral, strong s-donor N-heterocyclic carbene (NHC) complexes (ca. 5kcal mol À1 ). The overall association (> 11 kcal mol À1 ), however,isstrengthened by co-operative,s ynergistic classical hydrogen bonding when the NHC ligands bear NH units.Further manipulation of the interaction by ligands positioned trans to the carbene,i s possible.

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Anion photoelectron spectroscopy of Au−(H2O)1,2, Au2-(D2O)1–4, and AuOH−

Cited by 50 publications

References 20 publications

Spectroscopic observation of gold-dicarbide: Photodetachment and velocity map imaging of the AuC2 anion

Spectroscopic observation of gold-dicarbide: Photodetachment and velocity map imaging of the AuC2 anion

Preparing Gold(I) for Interactions with Proton Donors: The Elusive [Au]⋅⋅⋅HO Hydrogen Bond

Preparing Gold(I) for Interactions with Proton Donors: The Elusive [Au]⋅⋅⋅HO Hydrogen Bond

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