Bond-bending isomerism of Au2I3−: competition between covalent bonding and aurophilicity

Li, Wan Lu; Liu, Hong Tao; Jian, Tian; Lopez, Gary V.; Piazza, Zachary A.; Huang, Dao Ling; Chen, Teng Teng; Su, Jing; Yang, Ping; Chen, Xin; Wang, Lai Sheng; Li, Jun

doi:10.1039/c5sc03568f

Cited by 17 publications

(23 citation statements)

References 76 publications

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“…[64][65][66][67][68] We have shown that for tetramers or larger cluster anions, we can achieve optimal cooling. For example, we were able to completely eliminate vibrational hot bands in Au 4 and other larger cluster anions, 32,[68][69][70][71] whereas extensive hot bands were observed for Au 2 in our previous high-resolution PE imaging study. 72 The spectrum taken at 2.6810 eV [ Fig.…”

Section: B High-resolution Pe Images Of C 2 P −mentioning

confidence: 68%

A high-resolution photoelectron imaging and theoretical study of CP− and C2P−

Czekner

Cheung

Johnson

et al. 2018

The Journal of Chemical Physics

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The discovery of interstellar anions has been a milestone in astrochemistry. In the search for new interstellar anions, CP and CP are viable candidates since their corresponding neutrals have already been detected astronomically. However, scarce data exist for these negatively charged species. Here we report the electron affinities of CP and CP along with the vibrational frequencies of their anions using high-resolution photoelectron imaging. These results along with previous spectroscopic data of the neutral species are used further to benchmark very accurate quartic force field quantum chemical methods that are applied to CP, CP, CP, and two electronic states of CP. The predicted electron affinities, vibrational frequencies, and rotational constants are in excellent agreement with the experimental data. The electron affinities of CP (2.8508 ± 0.0007 eV) and CP (2.6328 ± 0.0006 eV) are measured accurately and found to be quite high, suggesting that the CP and CP anions are thermodynamically stable and possibly observable. The current study suggests that the combination of high-resolution photoelectron imaging and quantum chemistry can be used to determine accurate molecular constants for exotic radical species of astronomical interest.

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Section: B High-resolution Pe Images Of C 2 P −mentioning

confidence: 68%

A high-resolution photoelectron imaging and theoretical study of CP− and C2P−

Czekner

Cheung

Johnson

et al. 2018

The Journal of Chemical Physics

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“…There are two types of isomers of Au 2 I 3 – observed with acute (72.0°) and obtuse (100.7°) Au–I–Au angles. 25 Very interestingly, these isomers are called BBIs, which are quite different from other type of isomers. Inspired by this work, we wonder if the BBIs existed in Au n Cl n +1 – ( n = 2–4) cluster ions.…”

Section: Resultsmentioning

confidence: 99%

“…10 Aurophilic interaction has an energy between those of van der Waals force and covalent bonding and plays an important role in stabilizing Au(I) compounds. 11,12 Pyykkö and co-workers theoretically investigated the aurophilic interactions between closed shell Au(I) cationic centers over the past years. 13−16 They suggested that the nature of aurophilic interactions can be understood as a dispersion effect.…”

Section: Introductionmentioning

confidence: 99%

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Size Effect on Aurophilic Interaction in Gold-Chloride Cluster Anions of Au_nCl_n+1^– (2 ≤ n ≤ 7)

Bian

Shi

et al. 2019

ACS Omega

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Aurophilic interaction plays a very important role in gold-related clusters. Here, we investigate the Au n Cl n +1 – ( n = 1–7) cluster ions using Fourier transform ion cyclotron resonance mass spectrometry in combination with theoretical calculations. Three cluster ions of Au 2 Cl 3 – , Au 3 Cl 4 – , and Au 4 Cl 5 – show their remarkable intensities in the mass spectrum. Geometric structure optimizations for Au n Cl n +1 – ( n = 1–7) were performed on the MP2 level. The results show that the most stable structures of Au n Cl n +1 – ( n = 2–7) are all characterized by a zigzag structure. Furthermore, it can be found that the aurophilic interactions containing terminal gold atoms strengthen with the increase of total gold atoms and progressively stabilize for large clusters of Au 6 Cl 7 – and Au 7 Cl 8 – , whereas the aurophilic interactions between nonterminal adjacent gold atoms stabilize at n = 5.

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“… 76 Isomerism is an important concept in small organics, and this concept has been found in Au clusters ( Fig. 7A ), 80 , 81 suggesting that clusters might be as versatile as small organics. Clusters also provided insights into chemical bonds.…”

Section: Other Snmsmentioning

confidence: 85%

Chemistry and properties at a sub-nanometer scale

Wang

2016

Chem. Sci.

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Bond-bending isomerism of Au₂I₃⁻: competition between covalent bonding and aurophilicity

Abstract: Two isomers, different only by bond angles, are discovered for Au2I3–, due to competition between aurophilic interactions and covalent bonding.

Cited by 17 publications

References 76 publications

A high-resolution photoelectron imaging and theoretical study of CP− and C2P−

A high-resolution photoelectron imaging and theoretical study of CP− and C2P−

Size Effect on Aurophilic Interaction in Gold-Chloride Cluster Anions of Au_nCl_n+1^– (2 ≤ n ≤ 7)

Chemistry and properties at a sub-nanometer scale

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Bond-bending isomerism of Au2I3−: competition between covalent bonding and aurophilicity

Abstract: Two isomers, different only by bond angles, are discovered for Au2I3–, due to competition between aurophilic interactions and covalent bonding.

Cited by 17 publications

References 76 publications

A high-resolution photoelectron imaging and theoretical study of CP− and C2P−

A high-resolution photoelectron imaging and theoretical study of CP− and C2P−

Size Effect on Aurophilic Interaction in Gold-Chloride Cluster Anions of AunCln+1– (2 ≤ n ≤ 7)

Chemistry and properties at a sub-nanometer scale

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Bond-bending isomerism of Au₂I₃⁻: competition between covalent bonding and aurophilicity

Size Effect on Aurophilic Interaction in Gold-Chloride Cluster Anions of Au_nCl_n+1^– (2 ≤ n ≤ 7)