𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A Theoretical Study of MgNC and MgCN in the X̃2Σ+ Electronic State

✍ Scribed by Tsuneo Hirano; Keisaku Ishii; Tina Erica Odaka; Per Jensen

Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
340 KB
Volume
215
Category
Article
ISSN
0022-2852

No coin nor oath required. For personal study only.

✦ Synopsis

The MgNC radical was the first Mg-containing species to be observed in interstellar space. This fact has stimulated considerable spectroscopic interest in this molecule, and in its isomer MgCN, but nevertheless the only rotationally resolved spectroscopic data presently available for X 2 + MgNC comprise the rotational spectrum (K.

📜 SIMILAR VOLUMES

An ab Initio Study of the Ã2Π State and
An ab Initio Study of the Ã2Π State and the Ã2Π←X̃2Σ+ Electronic Transition of MgNC
✍ Tina Erica Odaka; Tsuneo Hirano; Per Jensen 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 304 KB

and references therein) to make a detailed calculation of the rovibronic energies in the first excited electronic state, Ã 2 , of the MgNC radical. This calculation is based on ab initio data (supplemented here with points for larger bending displacements from linearity) calculated at the level of M

Microwave Spectra of the ZnH and ZnD Rad
Microwave Spectra of the ZnH and ZnD Radicals in the X2Σ+ State
✍ M. Goto; K. Namiki; S. Saito 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 270 KB

Rotational spectra of zinc monohydride and deuteride in the \(X^{2} \Sigma^{+}\)vibronic ground state were observed by using a source-modulated submillimeter-wave spectrometer. The zinc hydride or deuteride radical was generated in the heat-pipe stainless steel cell by dc glow discharge in a mixture

Ab Initio Investigation of the … π2g (X3
Ab Initio Investigation of the … π2g (X3Σ−g, 11Δg, 11Σ+g) Electronic States of NCN. Study of the Renner–Teller Effect in the 11Δg State
✍ Miljenko Perić; Marija Krmar; Jelena Radić-Perić; Michael Hanrath 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 135 KB

Large-scale CI calculations are carried out to obtain accurate potential energy surfaces for the . . . g 2 manifold (X 3 ⌺ g Ϫ , 1 1 ⌬ g , 1 1 ⌺ g ϩ ) of electronic states of NCN. Separation of the low-lying singlet states from the triplet ground state is computed in close agreement with the results