| 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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