By John R. Van Wazer and Ilyas Absar (Eds.)
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Additional resources for Electron Densities in Molecules and Molecular Orbitals
MONOMERIC LITHIUM FLUORIDE A N D MONOMERIC METHYL LITHIUM 45 E. Monomelic Lithium Fluoride and Monomelic Methyl Lithium Although lithium fluoride is generally known in t h e form of a salt crystal (or a molten or dissolved salt) a n d lithium m e t h y l exhibits a polymerized s t r u c t u r e under normal conditions, it is of aca demic interest t o examine t h e electronic s t r u c t u r e of t h e gas-phase spectroscopic molecules, L i F a n d L i C H 3. LiF—In Fig. 3 . 1 8 electron-density plots are presented for a plane passing t h r o u g h t h e L i F b o n d axis of diatomic lithium fluoride.
Orbital 2 b 2 of dimethyl ether m a y also be fruitfully related to orbital £>ai of either m e t h y l isocyanide or acetonitrile (see Figs. 13). T h u s , of t h e filled molecular orbitals of dimethyl ether utilizing carbon s character, 3ai has no nodal planes, 2 b 2 has one, a n d 4ai has two, a n d this is t h e order of decreasing stability, as shown in Fig. 9 (p. 35). Molecular orbital 5ai is obvi ously closely related to orbitals 4 b 2 a n d 6ai because it partakes of t h e characteristics of each.
Transparent and regular cross-sectional electron-density plots for all of the electrons of lithium fluoride corresponding to the same cross-sectional plane used for this molecule in Fig. 18. Plot (a) corresponds to the molecular electron density minus that obtained by placing the ground-state constituent atoms in the same position in which they appear in the molecule. Plot (b) is a similar one showing the molecular electron density minus that of the Li +F~ ion pair. The top plot under either (a) or (b) is transparent and therefore projects below the chosen plane.
Electron Densities in Molecules and Molecular Orbitals by John R. Van Wazer and Ilyas Absar (Eds.)