- Tytuł:
- Electronic Structure of Organometallic Complexes of f Elements. Are Molecular Orbital Calculations a Useful Tool for Spectroscopists?
- Autorzy:
-
Jank, S.
Amberger, H.-D. - Tematy:
-
03.65.Sq
71.70.Ch - Pokaż więcej
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Powiązania:
- https://bibliotekanauki.pl/articles/1945458.pdf  Link otwiera się w nowym oknie
- Opis:
- The crystal field parameters of base-free (Me$\text{}_{3}$SiC$\text{}_{5}$H$\text{}_{4}$)$\text{}_{3}$Pr, (C$\text{}_{5}$H$\text{}_{5}$)$\text{}_{3}$Pr·NCCH$\text{}_{3}$, (C$\text{}_{5}$H$\text{}_{5}$)$\text{}_{3}$La(NCCH$\text{}_{3}$)$\text{}_{2}$:Pr, [Pr(C$\text{}_{8}$H$\text{}_{8}$)]$\text{}^{+}$ and Nd[N(SiMe$\text{}_{3}$)$\text{}_{2}$]$\text{}_{3}$ as model compound for Nd[CH(SiMe$\text{}_{3}$)$\text{}_{2}$]$\text{}_{3}$ were inserted into the corresponding energy matrices of a model spin-free f$\text{}^{1}$ system. Diagonalizing these matrices the crystal field splitting patterns of the f orbitals were calculated. These experimentally based molecular orbital schemes are compared with the results of previous model calculations.
- Dostawca treści:
- Biblioteka Nauki
Artykuł