Electron Densities in Molecules and Molecular Orbitals by John R. Van Wazer and Ilyas Absar (Eds.) PDF

By John R. Van Wazer and Ilyas Absar (Eds.)

ISBN-10: 0127145508

ISBN-13: 9780127145501

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Additional resources for Electron Densities in Molecules and Molecular Orbitals

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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.

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Electron Densities in Molecules and Molecular Orbitals by John R. Van Wazer and Ilyas Absar (Eds.)


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