Laser-induced emission from Te2, TeSe, TeS, and SeS in argon matrices

Ahmed, Fakhruddin; Nixon, Eugene R.

doi:10.1016/0022-2852(81)90086-2

Cited by 28 publications

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“…In addition to the clusters X 4 and the charge-transfer complexes (X 2 )(O 2 ), there exist intermediate cases of interaction when the two chalcogen diatomics have similar electronegativities: the (Se 2 )(S 2 ), (Te 2 )(S 2 ), and (Te 2 )(Se 2 ) systems. These compounds could be analyzed in terms of the interactions of triplet state SeS, SeTe, and TeS heteronuclear diatomic molecules which are known experimentally 8a. Three types of mixed X 2 Y 2 structures (X, Y are chalcogens) may be envisaged as depicted in Figure .…”

Section: Introductionmentioning

confidence: 99%

“…Experimental studies of larger mixed Se x S y rings have been reported (see ref and references therein). Se−Te crystals, amorphous films,8b and mixed chalcogen polycations 8d are known experimentally. The chemistry of tellurium−sulfur complexes was discussed by Haiduc et al8c Earlier theoretical investigations 29 of the seven- and eight-membered mixed Se x S y rings with LDFT predicted an energetic preference for the isomers with S−S or Se−Se linkages compared to isomers with Se−S bonds.…”

Section: Introductionmentioning

confidence: 99%

“…The chemistry of tellurium−sulfur complexes was discussed by Haiduc et al8c Earlier theoretical investigations 29 of the seven- and eight-membered mixed Se x S y rings with LDFT predicted an energetic preference for the isomers with S−S or Se−Se linkages compared to isomers with Se−S bonds. Ziegler et al8e studied several possible structures of Te 4 S 4 n + ions within the LDFT approximation.

2 Possible structures of the mixed X 2 Y 2 compounds. …”

Section: Introductionmentioning

confidence: 99%

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Density Functional Study of Tetra-Atomic Clusters and Complexes of the Group 16 Elements: Trends in Structure and Bonding

Orlova

Goddard

1999

J. Phys. Chem. A

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Se4 and Te4 clusters, the intermolecular weakly bound charge-transfer complexes (Se2)(O2) and (Te2)(O2), and the (X2)(Y2) and (XY)(YX) mixed compounds (X, Y = S, Se, Te) were studied using density functional theory with all-electron and effective core potential basis sets. All systems were analyzed in terms of interactions of the diatomic molecules. The energetically favorable “face to face” binding of the diatomic moieties leads to delocalization of the electron density in the high-lying occupied π*-antibonding orbitals of the tetra-atomic products. The cis structures are minima for all systems considered as a result of this delocalization. For the clusters and mixed compounds, the cis tetra-atomic structures formed by the diatomic molecules with equal or similar electronegativities correspond to global minima. The diatomic fragments in these compounds are nonparallel and have shorter bond lengths than their free diatomic values. For the clusters, the other low-lying isomers ordered according to their relative stabilities are trans, branched ring, and puckered ring. The increase in the delocalization of bond lengths leads to a decrease in relative stabilities. The rectangular configuration was predicted to be a transition state in the degenerate interconversion of two cis forms of Se4 with a chemically insignificant barrier. For Te4, this barrier disappears and the geometry of the cis global mimima is extremely close to the rectangular structure. The stability of the (XY)(YX) compounds with heteronuclear diatomic fragments relative to the (X2)(Y2) isomers with the homonuclear diatomic species increases with a decrease in the difference between the electronegativities of the X and Y atoms. The cis structures of (Se2)(O2) and (Te2)(O2) with the larger difference in electronegativities between the diatomic moieties correspond to local minima.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

2 Possible structures of the mixed X 2 Y 2 compounds. …”

Section: Introductionmentioning

confidence: 99%

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Density Functional Study of Tetra-Atomic Clusters and Complexes of the Group 16 Elements: Trends in Structure and Bonding

Orlova

Goddard

1999

J. Phys. Chem. A

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“…Thermodynamic properties of TeSe were derived from Knudsen-cell mass spectrometric experiments. [18] Fink et al observed the rotationally resolved IR-chemiluminescence spectrum in the gaseous state [19] while laser-induced fluorescence experiments on TeSe in the gas phase as well as in inert gas matrices were performed by Ahmed et al [20] However, precise data on the internuclear potential and quantitative details of the chemical bond, which can be obtained from high-resolution spectroscopy, are unavailable to date. The study of TeSe started with a coaxial single-target laser-ablation source [6] spectrometer in Valladolid described elsewhere [21] and was continued with the CATS spectrometer in Hannover presented herein.…”

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confidence: 99%

The Internuclear Potential, Electronic Structure, and Chemical Bond of Tellurium Selenide

et al. 2005

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“…[18] Fink et al beobachteten das rotationsaufgelöste IR-Chemilumineszenzspektrum im Gaszustand, [19] und Ahmed et al beschrieben laserinduzierte Fluoreszenzexperimente an TeSe sowohl in der Gasphase als auch in inerten Gasmatrices. [20] Dennoch sind präzise Daten zum Kern-KernPotential und quantitative Details der chemische Bindung, wie sie durch hochauflösende Spektroskopie zugänglich sind, bis heute nicht verfügbar.…”

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