The SPO (split p-orbital) method and its application to ethylene

Difficulties arise in the MO treatment of π-electron systems due to electron correlation. Current methods allow, explicitly to some extent, for horizontal correlation (i.e., correlation of electron motions parallel to the carbon skeleton) but not for vertical correlation, (i.e., correlation of elect...

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Publicado: 1961
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v34_n4_p1232_Dewar
http://hdl.handle.net/20.500.12110/paper_00219606_v34_n4_p1232_Dewar
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_00219606_v34_n4_p1232_Dewar
record_format dspace
spelling paper:paper_00219606_v34_n4_p1232_Dewar2023-06-08T14:44:32Z The SPO (split p-orbital) method and its application to ethylene Difficulties arise in the MO treatment of π-electron systems due to electron correlation. Current methods allow, explicitly to some extent, for horizontal correlation (i.e., correlation of electron motions parallel to the carbon skeleton) but not for vertical correlation, (i.e., correlation of electron interchange between the two π lobes). A method for doing this, first suggested by M. J. S. Dewar and C. E. Wulfman [J. Chem. Phys. 29, 158, (1958)], is outlined and applied to ethylene with satisfactory results. 1961 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v34_n4_p1232_Dewar http://hdl.handle.net/20.500.12110/paper_00219606_v34_n4_p1232_Dewar
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description Difficulties arise in the MO treatment of π-electron systems due to electron correlation. Current methods allow, explicitly to some extent, for horizontal correlation (i.e., correlation of electron motions parallel to the carbon skeleton) but not for vertical correlation, (i.e., correlation of electron interchange between the two π lobes). A method for doing this, first suggested by M. J. S. Dewar and C. E. Wulfman [J. Chem. Phys. 29, 158, (1958)], is outlined and applied to ethylene with satisfactory results.
title The SPO (split p-orbital) method and its application to ethylene
spellingShingle The SPO (split p-orbital) method and its application to ethylene
title_short The SPO (split p-orbital) method and its application to ethylene
title_full The SPO (split p-orbital) method and its application to ethylene
title_fullStr The SPO (split p-orbital) method and its application to ethylene
title_full_unstemmed The SPO (split p-orbital) method and its application to ethylene
title_sort spo (split p-orbital) method and its application to ethylene
publishDate 1961
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v34_n4_p1232_Dewar
http://hdl.handle.net/20.500.12110/paper_00219606_v34_n4_p1232_Dewar
_version_ 1768546429776691200

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