𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The structure of Ar3+

✍ Scribed by Florent Xavier Gadea; Jiří Šavrda; Ivana Paidarová

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
751 KB
Volume
223
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

Extended basis set CI calculations were performed to contribute to the discussion concerning the equilibrium ground state nuclear configuration of the Ar: cluster. A relativistic pseudopotential was used to describe the Ar core and only the valence electrons were treated explicitly in the calculation. The quality of the basis set used and the level of correlation reached were justified by the calculation of the spectroscopic constants of Ar: where direct experimental verification was possible. Spin-orbit interaction was taken into account when the theoretical and experimental dissociation energies D, of the Ar$ molecule were compared. The experimental value with 'spin-orbit interaction removed' D, = 1.39 f 0.02 eV matched well with our calculated D.= 1.385 eV. The A$ molecule was found to be linear and symmetric with an unexpectedly short bond length r=4.73 a+

📜 SIMILAR VOLUMES

On the structure and photodissociation d
On the structure and photodissociation dynamics of Ar+3
✍ Michael T. Bowers; William E. Palke; Kathleen Robins; Coleen Roehl; Sherrie Wals 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 547 KB

New ab initio calculations are reported that indicate Art is a linear, asymmetric, C, molecule with equilibrium bond lengths R, ~2.47 A and R2= 2.73 A. The potential energy surface is very shallow along the asymmetric stretch coordinate indicating excursions of the least bound argon atom of 0.5 to 0

Level structure of 37Ar and 41Ar
Level structure of 37Ar and 41Ar
✍ C.H. Holbrow; P.V. Hewka; J. Wiza; R. Middleton 📂 Article 📅 1966 🏛 Elsevier Science ⚖ 336 KB
A method of calculation of the thermodyn
A method of calculation of the thermodynamic properties of Ar3
✍ P.V. Elutin; V.I. Baranov; E.D. Belega; D.N. Trubnikov 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 324 KB

Calculation of the complete energy spectrum of the quantum system At3 is extremely difficult. The reason is the strong nonlinearity that entangles the modes of internal motion even at the lowest energy levels of the system. One can say that vibrations of the trimer are never small and that its vibra

A facile reduction of Ar3COH to Ar3CH
A facile reduction of Ar3COH to Ar3CH
✍ Valeryi Shevchenko; Robert Engel 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 156 KB

Modification of the conditions described for the preparation of triarylmethylphosphonous acids from hypophosphorous acid and triarylmethanols allows facile reduction of the C-O-H linkage to the C-H linkage.