Photoelectron spectroscopy of the molecular anions, Li3O− and Na3O−

Wang, Di; Graham, J.; Buytendyk, Allyson M.; Bowen, Kit H.

doi:10.1063/1.3657854

Cited by 28 publications

(12 citation statements)

References 22 publications

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“…Superalkalis and superhalogens are two kinds of superatoms with specific features resembling the alkali metal and halogen atoms, respectively. Since they were initially proposed by Gutsev and Boldyrev , in the early 1980s, there has been increasing interest and activity in both experimental − and theoretical − studies of these two classes of superatoms. For example, the Al 13 cluster with 39 valence electrons is one electron short of a closed shell state and hence possesses a very high electron affinity, just as a halogen atom does .…”

Section: Introductionmentioning

confidence: 99%

Quasi-Chalcogen Characteristics of Al₁₂Be: A New Member of the Three-Dimensional Periodic Table

Sun

et al. 2016

J. Phys. Chem. C

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The creative concept of superatom brings a new dimension to the conventional periodic table, which has been gradually enriched by both theoretical and experimental research. In this article, we propose a new member, namely, Al12Be, to the superatom family. The amazing similarity between the Al12Be cluster and the chalcogen elements makes the former an excellent superatom counterpart of the latter. In addition, Al12Be exhibits more exothermic first electron affinity (EA) and less endothermic second EA values due to its size advantage over the chalcogen atoms, showing the superatom superiority in this respect. The stable compounds formed between Al12Be and other atoms, such as carbon, beryllium, calcium, and lithium, provide further evidence to support the quasi-chalcogen identity of Al12Be.

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Section: Introductionmentioning

confidence: 99%

Quasi-Chalcogen Characteristics of Al₁₂Be: A New Member of the Three-Dimensional Periodic Table

Sun

et al. 2016

J. Phys. Chem. C

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“…An identical photoelectron spectrum of (quinoline-CO 2 ) − was also observed in our lab using a pulsed anion photoelectron spectrometer that employed time-of-flight mass selection, a Nd:YAG laser, and a magnetic bottle electron energy analyzer. 30 Density functional theory (DFT) calculations were conducted using the Gaussian 09 software package. 31 All calculations were performed using the wb97xd functional 32 and aug-cc-pVTZ basis set.…”

Section: Experimental and Computational Methodsmentioning

confidence: 99%

CO2 binding in the (quinoline-CO2)− anionic complex

Graham

Buytendyk

Wang

et al. 2015

The Journal of Chemical Physics

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We have studied the (quinoline-CO2)(-) anionic complex by a combination of mass spectrometry, anion photoelectron spectroscopy, and density functional theory calculations. The (quinoline-CO2)(-) anionic complex has much in common with previously studied (N-heterocycle-CO2)(-) anionic complexes both in terms of geometric structure and covalent bonding character. Unlike the previously studied N-heterocycles, however, quinoline has a positive electron affinity, and this provided a pathway for determining the binding energy of CO2 in the (quinoline-CO2)(-) anionic complex. From the theoretical calculations, we found CO2 to be bound within the (quinoline-CO2)(-) anionic complex by 0.6 eV. We also showed that the excess electron is delocalized over the entire molecular framework. It is likely that the CO2 binding energies and excess electron delocalization profiles of the previously studied (N-heterocycle-CO2)(-) anionic complexes are quite similar to that of the (quinoline-CO2)(-) anionic complex. This class of complexes may have a role to play in CO2 activation and/or sequestration.

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“…The superalkali nature of FLi 2 , OLi 3 , etc. was experimentally confirmed by mass spectrometry and photoelectron spectroscopy [5,6].…”

Section: Introductionmentioning

confidence: 94%

Superalkali behavior of ammonium (NH4+) and hydronium (OH3+) cations: a computational analysis

2020

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Superalkalis are unusual species having ionization energy (IE) lower than that of alkali atom. The examples of typical superalkali cations include FLi 2 + , OLi 3 + , NLi 4 + , etc. Ammonium (NH 4 + ) and hydronium (OH 3 + ) cations form a variety of inorganic as well as organic compounds. Structurally, NH 4 and OH 3 appear a close analog of NLi 4 and OLi 3 , respectively. However, there is no study on the superalkali nature of OH 3 and NH 4 to the best of our knowledge and belief. This work highlights whether NH 4 + and OH 3 + are superalkali cations, like NLi 4 + and OLi 3 + for the first time. Our ab initio calculations suggest that NH 4 possesses lower IE than Li atom. However, the IE of OH 3 is found to be comparable to that of Li. Furthermore, NH 4 interacts with a superhalogen forming a supersalt and reduces CO 2 into CO 2 −. These two characteristics of NH 4 resemble to those of NLi 4 . These findings suffice to establish NH 4 + as a superalkali cation. This may offer further opportunities to play with well-known NH 4 + on a different ground.

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Photoelectron spectroscopy of the molecular anions, Li3O− and Na3O−

Cited by 28 publications

References 22 publications

Quasi-Chalcogen Characteristics of Al₁₂Be: A New Member of the Three-Dimensional Periodic Table

Quasi-Chalcogen Characteristics of Al₁₂Be: A New Member of the Three-Dimensional Periodic Table

CO2 binding in the (quinoline-CO2)− anionic complex

Superalkali behavior of ammonium (NH4+) and hydronium (OH3+) cations: a computational analysis

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Photoelectron spectroscopy of the molecular anions, Li3O− and Na3O−

Cited by 28 publications

References 22 publications

Quasi-Chalcogen Characteristics of Al12Be: A New Member of the Three-Dimensional Periodic Table

Quasi-Chalcogen Characteristics of Al12Be: A New Member of the Three-Dimensional Periodic Table

CO2 binding in the (quinoline-CO2)− anionic complex

Superalkali behavior of ammonium (NH4+) and hydronium (OH3+) cations: a computational analysis

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Product

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Quasi-Chalcogen Characteristics of Al₁₂Be: A New Member of the Three-Dimensional Periodic Table

Quasi-Chalcogen Characteristics of Al₁₂Be: A New Member of the Three-Dimensional Periodic Table