Observation of a spin-protected high-energy isomer of Al4N− cluster

Nayak, Saroj K.; Rao, B. K.; Jena, P.; Li, Xi; Wang, Lai-Sheng

doi:10.1016/s0009-2614(99)00024-x

Cited by 56 publications

(39 citation statements)

References 15 publications

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“…Compounds with aplanar tetracoordinate nitrogen (ptN) arrangement, NAl 4 À (4b)and NSiAl 3 (4c), were predicted by Schleyer and Boldyrev in 1991. [20] NAl 4 À was later experimentally observed by Rao and co-workers in 1999, [120] as we discussed in Figure 4inSection 2onpentaatomic ptC species. Furthermore,N Al 5 À (4s)with aptN motif was also observed and characterized together with NAl 4 À (4b)b yW ang and Boldyrev in 2006.…”

Section: Nitrogensupporting

confidence: 67%

Four Decades of the Chemistry of Planar Hypercoordinate Compounds

et al. 2015

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The idea of planar tetracoordinate carbon (ptC) was considered implausible for a hundred years after 1874. Examples of ptC were then predicted computationally and realized experimentally. Both electronic and mechanical (e.g., small rings and cages) effects stabilize these unusual bonding arrangements. Concepts based on the bonding motifs of planar methane and the planar methane dication can be extended to give planar hypercoordinate structures of other chemical elements. Numerous planar configurations of various central atoms (main-group and transition-metal elements) with coordination numbers up to ten are discussed herein. The evolution of such planar configurations from small molecules to clusters, to nanospecies and to bulk solids is delineated. Some experimentally fabricated planar materials have been shown to possess unusual electrical and magnetic properties. A fundamental understanding of planar hypercoordinate chemistry and its potential will help guide its future development.

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Section: Nitrogensupporting

confidence: 67%

Four Decades of the Chemistry of Planar Hypercoordinate Compounds

et al. 2015

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“… 3 In 1991, Boldyrev and Schleyer predicted various planar tetracoordinate atoms with 18 valence electrons (18ve), such as CAl 2 Si 2 , OAl 4 , NAl 3 Si, BAlSi 3 , and NAl 4 − . 4 In fact, the last one was thereafter experimentally characterized by Nayak et al 5 Later, Boldyrev and Simons established that 18ve are required to stabilize a planar form, in which three C-ligand σ-bonds, one C-ligand π-bond, and one ligand–ligand bond take place. 6 The first neutral pentaatomic ptC molecules with 17 and 18ve experimentally observed in the gas-phase via anion photoelectron spectroscopy and characterized by ab initio computations were CAl 4 − and CAl 4 2− , respectively.…”

Section: Introductionmentioning

confidence: 99%

Planar tetracoordinate fluorine atoms

et al. 2021

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“…In particular, they observed two bands at 956.7 and 1501.6 cm -1 that, on the basis of the isotopic ratio and density functional theory (DFT) calculations, were assigned to the antisymmetric stretch (σ u ) and combination band (σ g + σ u ), respectively, of the linear centrosymmetric Al-NAl molecule. Nayak et al 16 produced Al x N -clusters by laser ablation of a pure Al disk with a N 2 /He carrier gas and measured the anion PE spectra of Al 3 N -and Al 4 N -. Meloni and Gingerich 17 obtained the atomization energy and enthalpy of formation of the Al 2 N molecule using KCMS and a new set of molecular parameters computed at the density functional level of theory.…”

Section: Introductionmentioning

confidence: 99%

Spectroscopic Investigation of Al₂N and Its Anion via Negative Ion Photoelectron Spectroscopy

et al. 2006

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Negative ion photoelectron spectroscopy was used to elucidate the electronic and geometric structure of the gaseous Al 2 N/Al 2 N -molecules, using photodetachment wavelengths of 416 nm (2.977 eV), 355 nm (3.493 eV), and 266 nm (4.661 eV). Three electronic bands are observed and assigned to the X 2 Σ u + r X 1 Σ g + , A 2 Π u r X 1 Σ g + , and B 2 Σ g + r X 1 Σ g + electronic transitions, with the caveat that one or both excited states may be slightly bent. With the aid of density functional theory calculations and Franck-Condon spectral simulations, we determine the adiabatic electron affinity of Al 2 N, 2.571 ( 0.008 eV, along with geometry changes upon photodetachment, vibrational frequencies, and excited-state term energies. Observation of excitation of the odd vibrational levels of the antisymmetric stretch (ν 3 ) suggests a breakdown of the FranckCondon approximation, caused by the vibronic coupling between the X 2 Σ u + and B 2 Σ g + electronic states through the ν 3 mode.

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Observation of a spin-protected high-energy isomer of Al4N− cluster

Cited by 56 publications

References 15 publications

Four Decades of the Chemistry of Planar Hypercoordinate Compounds

Four Decades of the Chemistry of Planar Hypercoordinate Compounds

Planar tetracoordinate fluorine atoms

Spectroscopic Investigation of Al₂N and Its Anion via Negative Ion Photoelectron Spectroscopy

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Observation of a spin-protected high-energy isomer of Al4N− cluster

Cited by 56 publications

References 15 publications

Four Decades of the Chemistry of Planar Hypercoordinate Compounds

Four Decades of the Chemistry of Planar Hypercoordinate Compounds

Planar tetracoordinate fluorine atoms

Spectroscopic Investigation of Al2N and Its Anion via Negative Ion Photoelectron Spectroscopy

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Spectroscopic Investigation of Al₂N and Its Anion via Negative Ion Photoelectron Spectroscopy