| Conţinutul numărului revistei |
| Articolul precedent |
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 SM ISO690:2012BUDNIKOV, S., GORBACHEV, Mikhail, PELYAKH, M.. Effect of tetraazamacrocycle on the ligand reactivity along the axial coordinate in chromium(III) complexes: Electronic approach. In: Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya, 1999, vol. 25, pp. 17-19. ISSN -. |
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  Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya |
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| Volumul 25 / 1999 / ISSN - /ISSNe 1070-3284 | ||||||
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| Pag. 17-19 | ||||||
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The electronic structure of [Cr[14]aneN4(NH3)2]3+ is calculated by the MINDO method to propose the possible mechanism for the solid-phase inner-sphere substitution reaction of ammonia molecules. It is shown that the chromium 3dyz and 3dx2-y2 AOs are inverted as the chromium-nitrogen(NH3) distance varies. The equation describing populations of these levels as functions of this distance is obtained. It is important that the ground-state electronic structure of [Cr[14]aneN4(NH3)2]3+ is close to the electronic structure of a hypothetical [Cr[14]aneN4]3+ system. |
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Dublin Core Export
<?xml version='1.0' encoding='utf-8'?> <oai_dc:dc xmlns:dc='http://purl.org/dc/elements/1.1/' xmlns:oai_dc='http://www.openarchives.org/OAI/2.0/oai_dc/' xmlns:xsi='http://www.w3.org/2001/XMLSchema-instance' xsi:schemaLocation='http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd'> <dc:creator>Budnikov, S.S.</dc:creator> <dc:creator>Gorbaciov, M.I.</dc:creator> <dc:creator>Peleah, M.M.</dc:creator> <dc:date>1999-01-01</dc:date> <dc:description xml:lang='en'><p>The electronic structure of [Cr[14]aneN<sub>4</sub>(NH<sub>3</sub>)<sub>2</sub>]<sup>3+</sup> is calculated by the MINDO method to propose the possible mechanism for the solid-phase inner-sphere substitution reaction of ammonia molecules. It is shown that the chromium 3d<sub>yz</sub> and 3d<sub>x2-y2</sub> AOs are inverted as the chromium-nitrogen(NH<sub>3</sub>) distance varies. The equation describing populations of these levels as functions of this distance is obtained. It is important that the ground-state electronic structure of [Cr[14]aneN<sub>4</sub>(NH<sub>3</sub>)<sub>2</sub>]<sup>3+</sup> is close to the electronic structure of a hypothetical [Cr[14]aneN<sub>4</sub>]<sup>3+</sup> system.</p></dc:description> <dc:source>Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya () 17-19</dc:source> <dc:title>Effect of tetraazamacrocycle on the ligand reactivity along the axial coordinate in chromium(III) complexes: Electronic approach</dc:title> <dc:type>info:eu-repo/semantics/article</dc:type> </oai_dc:dc>
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