ISSN:
1432-2234
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Description / Table of Contents:
Résumé Deux formules générales entre l'indice de liaisonl et la distance interatomiqued (Å) sont proposées: 1. entre atomes des lignesn=2 et 3, hybrides ensp 2: $$d_{PQ} = \left[ {0,731 + 0,3181\left( {n_P + n_Q } \right) - 0,1477\left( {\zeta _P + \zeta _Q } \right)} \right] - 0,020 + 0,0523\left( {\zeta _P + \zeta _Q } \right)l_{PQ} $$ (ζ=Z/n, Z=charge effective de Slater de l'orbitale π). 2. entre atomes de la lignen=2, hybridés en sp: $$d_{PQ} = \left[ {1,904 - 0,123\left( {\zeta _P + \zeta _Q } \right)} \right] - \left[ {0,075 + 0,023\left( {\zeta _P + \zeta _Q } \right)} \right]l_{PQ} $$ (l=indice totalπ+π′).
Abstract:
Zusammenfassung Zwei allgemeine Beziehungen zwischen Bindungsindexl und Bindungsabstandd (Å) werden vorgeschlagen: 1. zwischensp 2-hybridisierten Atomen der zweiten und dritten Reihen (n=2, 3): $$d_{PQ} = \left[ {0,731 + 0,3181\left( {n_P + n_Q } \right) - 0,1477\left( {\zeta _P + \zeta _Q } \right)} \right] - 0,020 + 0,0523\left( {\zeta _P + \zeta _Q } \right)l_{PQ} $$ (ζ=Z/n, Z=Slater's effective Kernladung der π-Orbitale). 2. zwischensp-hybridisierten Atomen der zweiten Reihe: $$d_{PQ} = \left[ {1,904 - 0,123\left( {\zeta _P + \zeta _Q } \right)} \right] - \left[ {0,075 + 0,023\left( {\zeta _P + \zeta _Q } \right)} \right]l_{PQ} $$ (l=Gesamt-π+π′-Bindungsindex).
Notes:
Abstract Two general relation between bond orderl and bond distance d (Å) are proposed: 1. between atomssp 2-hybridised of second and third row: $$d_{PQ} = \left[ {0,731 + 0,3181\left( {n_P + n_Q } \right) - 0,1477\left( {\zeta _P + \zeta _Q } \right)} \right] - 0,020 + 0,0523\left( {\zeta _P + \zeta _Q } \right)l_{PQ} $$ ,ζ=Z/n,Z=Slater's effective nuclear charge of theπ-orbital). 2. between atomssp-hybridised of the second row: $$d_{PQ} = \left[ {1,904 - 0,123\left( {\zeta _P + \zeta _Q } \right)} \right] - \left[ {0,075 + 0,023\left( {\zeta _P + \zeta _Q } \right)} \right]l_{PQ} $$ (l=total bond orderπ+π′).
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01036038
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