Nonbonding Molecular Orbital Method and Mathematical Proof for Disjoint/Non-disjoint Molecules

Chapter
First Online:
Part of the SpringerBriefs in Molecular Science book series (BRIEFSMOLECULAR)

Abstract

In this chapter, we introduce our own technique, which was developed to design non-disjoint systems with high-spin states more stable than those of disjoint systems, as mentioned in Chap.  1. Pure hydrocarbon (HC) systems are addressed first, because high-spin organic molecules are accessible when non-bonding molecular orbitals (NBMOs) are present as a result of the symmetry of the alternant HC skeleton. This description is then followed by a discussion of heteroatom-included HC (HHC) systems. We explain the basic idea of making non-disjoint combinations between molecules feasible when designing large organic non-disjoint systems with high-spin ground states.

Keywords

Carbon Atom Molecular Orbital Orbital Energy Mathematical Proof Secular Equation 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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Copyright information

© The Author(s) 2017

Authors and Affiliations

  1. 1.Department of Material Sciences, Faculty of Engineering SciencesKyushu UniversityKasugaJapan
  2. 2.Department of Material Sciences, Faculty of Engineering SciencesKyushu UniversityKasugaJapan
  3. 3.Department of Chemistry, Faculty of ScienceHiroshima UniversityHigashihiroshimaJapan

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