Linear relationship between 13C NMR chemical shifts and electronic chemical potential, chemical hardness and electrophilicity index of allylic Pd(II) complexes

Linear relationship between 13C NMR chemical shifts and electronic chemical potential, chemical hardness and electrophilicity index of allylic Pd(II) complexes

In the frame of conceptual density functional theory the chemical shifts values (δ) of signals in 13C NMR spectra of substituted allylic Pd(II) complexes were calculated considering equilibrium population of conformers in aqueous solution. On the basis that δ values of signals of unsubstituted termi...

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Bibliographic Details
Main Authors: Е. М. Evstigneeva, I. E. Sokolov, S. . Yagubpur
Format: Article
Language:Russian
Published: MIREA - Russian Technological University 2013-06-01
Series:Тонкие химические технологии
Subjects:
allylic complexes of palladium(ii), conceptual density functional theory, 13c nmr, electronic chemical potential, chemical hardness, electrophilicity index.
Online Access:https://www.finechem-mirea.ru/jour/article/view/592

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