Design of Polycyclic Molecules of Group 15 Elements and Pentagon Stability
| Project/Area Number |
14540470
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical chemistry
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| Research Institution | Gifu University |
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Principal Investigator |
INAGAKI Satoshi Gifu University, Faculty of Engineering, Professor, 工学部, 教授 (10108061)
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| Project Period (FY) |
2002 – 2003
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| Project Status |
Completed (Fiscal Year 2003)
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| Budget Amount *help |
¥3,000,000 (Direct Cost: ¥3,000,000)
Fiscal Year 2003: ¥700,000 (Direct Cost: ¥700,000)
Fiscal Year 2002: ¥2,300,000 (Direct Cost: ¥2,300,000)
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| Keywords | orbital phase / ring strain / strain energy / bond model analysis / pentagon stability / higher-row elements / polycyclic molecules / transition state / カルベン / シリレン / ゲルミレン / リン / ヒ素 / 多環状化合物 |
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| Research Abstract |
We showed that the five-membered ring is the most stable of the monocylic molecules (XH)n (XN,P,As) composed of the 15 group elements and designed mono-and polycyclic molecules with low strains.
A lone pair of an atom in the 15 group delocalize in a cyclic manner since the phase of the n-orbital for the lone pairs and the σ^*-orbitals of the vicinal X-X bonds is continuous. The bond model analysis showed that n-σ^* interaction does not contribute to significant stabiizization for X=N but for X=P and As. The five membered ring is more strained than the six-membered ring for X=N. To our surprise, the five-membered rings (X=P and As) have negative strain energies, and are less strained than the six-membered rings. According to the pentagon stability, we designed polycycic molecules of P and As with low strains.
We showed the pentagon stability of the chemical species, aluminum anion, carbene, silylene, and germylene, where an carbon atom of cyclopentane is replaced by the corresponding atom.
The pentagon stability is shown for the transition states of chemical reactions. For example, the activation energy (4.25) kcal/mol) of the deprotonation from cyclopentane is lower than that (4.52 kcal/mol) from cyclohexane.
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Report
(3 results)
Research Products
(6 results)
