𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Electron spin density distribution in the CO+, CO2− and O2− radicals as a function of geometry

✍ Scribed by D.P. Vercauteren; J.-M. André; E.G. Derouane

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
440 KB
Volume
36
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

The standard INDC method has been used to calculate the e!cctron spin density distribution and isotropic Fermi contact hypcrfine coupling in the radicals CO+, COT, and OF. Bond lengths and angle (for CO?:) have been varied over a rcasonable ranpe. Geomctricnl effects arc found to have a rclativcly small influence on the caiculated values which do agree closely with the erperimental data. 292.5 289.0 271.5 -0.0143 -0.0150 -0.0158 -0.0165 -0.0172 -0.0176 -0.0180 -0.0185 -0.0749

📜 SIMILAR VOLUMES

Electronic Properties of the Axial Co−C
Electronic Properties of the Axial Co−C and Co−S Bonds in B12 Systems − A Density Functional Study
✍ Lucio Randaccio; Silvano Geremia; Mauro Stener; Daniele Toffoli; Ennio Zangrando 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 446 KB 👁 2 views

The numerous accurate structural data of cobalamins now available allows us to optimize the geometry of these systems, based on a simplified model by using density functional theory (DFT) calculations. This approach, which reproduces the trend of the experimental distances derived from EXAFS and X-r

Spin State and Variation of the Spin Ori
Spin State and Variation of the Spin Orientation of Co(III) in the 112-Type Phase YBa(Co2-xCUx)O5
✍ L. Barbey; N. Nguyen; V. Caignaert; F. Studer; B. Raveau 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 440 KB

The copper and cobalt valence states in the 112 -phase YBa \(\left(\mathrm{Co}_{2-x} \mathrm{Cu}_{x}\right) \mathrm{O}_{5}\) have been determined from a XANES analysis: copper is mainly in the \(\mathrm{Cu}(\mathrm{II})\) state whereas cobalt appears in a mixed valent state \(\mathrm{Co}(\mathrm{II}

CO vibrational population distributions
CO vibrational population distributions in the reactions of COS with O(3PJ) and O(1D2) atoms
✍ R.G. Shortridge; M.C. Lin 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 566 KB

The populations of the nascent CO formed in the reactions oi COS with 0(3P~) and O(" Dz) atoms: O? P) + cos s co? + so, O(' D) c COS 4 COi + SO have been determined by a CO laser resonant absorption method. The fraction of the total available energy channelled into CO as vibration ~1s calculated to

Concerning the density and temperature d
Concerning the density and temperature dependence of the electron mobility in high-pressure CO2
✍ John M. Warman; Ulrich Sowada; D.A. Armstrong 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 406 KB

The marked decrease in the mobhty of electrons in high-pressure CO? is found to be due to t\w effects. One results in SI "lmmedlate" (subnanosecond) reduction and is ascribed to collective nttemctlons (e.g. mukplc sc&tcring)). The second xesuits m J. decrease over ;1 tlmescale of tens of nanowzonds