From High-Spin Organic Molecules to Organic Polymers with Magnetic Ordering.
β Scribed by Andrzej Rajca
- Publisher
- John Wiley and Sons
- Year
- 2003
- Weight
- 71 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0931-7597
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## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a βFull Textβ option. The original article is trackable v
A series of potentially stable high-spin molecules based on m-phenylene and/or s-triazine ferromagnetic connectivity coupling units and two-atom three-electron spin centers thioaminyl (-N Γ -S)-and/ or hydrazyl (-N Γ -N`) were computationally investigated as novel magnetic material building blocks,
For predicting organic ferromagnetic substances, we propose a simple rule to estimate the possibility as a high-spin molecule, based on molecular orbital Ε½ . coefficients by the simple Huckel's nonbonding molecular orbital NBMO method for ΓΆrganic conjugated systems. For the combination of several mo