与 «FRONTIER ORBITAL»相关的英语书籍
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1
Chemical Structure and Bonding
5-9 The Frontier-Orbital Concept The Japanese chemist Kenichi Fukui has
introduced the frontier-orbital concept to describe the reaction of Lewis acids and
bases in terms of the molecular-orbital theory. The frontier orbitals of any
molecule ...
2
Organic Mechanisms: Reactions, Stereochemistry and Synthesis
Frontier Orbital Interactions in Transition States of One-Step [4+2]-Cycloadditions
Figure 15.2 (Section 15.2.1) showed the stereostructures of the transition states
of the [4+2]- cycloadditions between ethene or acetylene, respectively, and ...
Reinhard Bruckner, Michael Harmata, 2010
The frontier orbital theory [7–9] assumes that the stabilization by the electron
delocalization could control chemical reactions. The stabilization comes from the
interactions between the occupied molecular orbitals of one molecule and the ...
4
Advanced Organic Chemistry: Part A: Structure and Mechanisms
The concept of frontier orbital control proposes that the most important
interactions are between a particular pair of orbitals.56 These orbitals are the
highest filled orbital of one reactant (the HOMO) and the lowest unfilled (LUMO)
orbital of the ...
Francis A. Carey, Richard J. Sundberg, 2007
5
Frontier Orbitals and Reaction Paths: Selected Papers of ...
This book is a collection of selected papers on the Frontier Orbital Theory by Nobel prizewinner Kenichi Fukui (Chemistry 1981), with introductory notes.
Kenichi Fukui, Hiroshi Fujimoto, 1997
6
Frontier Orbitals: A Practical Manual
The frontier orbital approximation3 is a special case of perturbation theory. It is
very simple to use; we merely maximize the frontier orbital interactions. Its
conclusions are correct in about 80% of cases, so it is not infallible. Nonetheless,
to the ...
Nguyen Trong Anh, Trong Anh Nguyên, 2007
7
Advances in Physical Organic Chemistry
Frontier Orbital And Charge Transfer Theories The frontier orbital approach (
Fukui et al., 1952, 1954b) has met with considerable success in so far as frontier
orbital charges correlate well with experimental data. The performance of these ...
explain how the ratio of yields of ortho, meta, and para products in substitution of
benzene derivatives depends simply on the competition between charge control
and frontier orbital control. The use of the term 'frontier orbital control' implies an ...
R. N. Dixon, Colin Thomson, 1978
9
Principles of Molecular Photochemistry: An Introduction
The most important orbitals in the frontier orbital analysis are the HO and LU of
the ground state of an organic molecule. As a zero-order approximation, the
same LU of the ground state is used for excited states. Thus, R has a frontier
orbital ...
Nicholas J. Turro, V. Ramamurthy, Juan C. Scaiano, 2009
10
Orbital Interactions in Chemistry
The frontier orbital of the methyl radical is also of a| symmetry and is hybridized
away from the remaining hydrogens. It is close to the traditional sp3 hybrid orbital
. But what is important is that the single frontier orbital (with one electron in it) for ...
Thomas A. Albright, Jeremy K. Burdett, Myung-Hwan Whangbo, 2013
