Regularities of the trans-Influence of Ligand L on the Energy Characteristics of the Metastable Isomers of trans-[RuX4(NO)L]q (L = H2O, NH3, Pyrazine, Cl?, OH?, CN?, NO2?; X = Cl?, NH3) |
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Authors: | O O Lubimova and O V Sizova |
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Institution: | (1) St. Petersburg State University, Universitetskaya nab. 7/9, St. Petersburg, 199164, Russia |
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Abstract: | The geometric structures of the ground state and metastable isomers of the nitroso complexes trans-RuCl4(NO)L]q (L = H2O, NH3, pyrazine (Pz), q = −1; Cl−, OH−, CN−, NO
2
−
, q = −2) and cisRuCl4(NO)L]q (L = Pz, q = −1) were optimized in terms of the density functional theory. The variation of the trans-ligand L influences the relative energy of the metastable isomer with a side NO coordination. The presence of π-acceptor substituents in the trans-ligand L decreases the energy.__________Translated from Koordinatsionnaya Khimiya, Vol. 31, No. 8, 2005, pp. 606–611.Original Russian Text Copyright © 2005 by Lyubimova, Sizova. |
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