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A NEW ORBITAL INTERACTION ANALYSIS SYSTEM "LUMMOX" AND IT'S APPLICATION OF PHOSPHINE-PALLADIUM COMPLEXES

MASAHIRO YAMANAKA

Department of Chemistry, Rikkyo University, 3-34-1, Nishi-Ikebukuro, Toshima-ku, Tokyo, 171-8501, Japan

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and

AKINOBU SHIGA

Department of Chemistry, Rikkyo University, 3-34-1, Nishi-Ikebukuro, Toshima-ku, Tokyo, 171-8501, Japan

LUMMOX Research Labo, Takezono, Tsukuba, 305-0032, Japan

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https://doi.org/10.1142/S0219633605001489Cited by:4 (Source: Crossref)

Abstract

A new orbital interaction analysis system, "LUMMOX", is based on two theories of "Paired Interacting Orbital (PIO)" and "Localized Frontier Orbital (LFO)", which have been developed by Fujimoto et al. LUMMOX can readily estimate the reactivity of an interacting system A–B of various sizes with the same A by comparing with the same number of the interacting orbitals. By applying LUMMOX, we report herein the primary orbital interaction on the phosphine-palladium complexes (PF₃Pd, PH₃Pd, PMe₃Pd, PPh₃Pd) continuously changes from the donative to back-donative interaction.

Keywords:

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