Synthesis, structure, and spectroscopic properties of chiral oxorhenium(V) complexes incorporating polydentate ligands derived from L-amino acids: a density functional theory/time-dependent density functional theory investigation

Inorganic Chemistry
Sucharita Basak, Kajal Krishna Rajak

Abstract

The oxorhenium(V) complexes [Re (V)O(L A)Cl 2] bearing the (N-2-pyridylmethyl) of l-valine (HL A (1)), l-leucine (HL A (2)), and l-phenylalanine (HL A (3)) and [Re (V)O(L B)Cl] containing the {(N-2pyridylmethyl)-(N-(5-nitro-2-hydroxybenzyl)} of l-valine (H 2L B (1)), l-leucine (H 2L B (2)), and l-phenylalanine (H 2L B (3)) are presented in this article. The complexes are isolated in enantiomeric pure form examined from X-ray structure determination. The complexes are characterized by spectroscopic and electrochemical methods. The molecular structures observed in the solid state are grossly preserved in solution ( (1)H, (13)C, and circular dichroism spectra). Gas-phase geometry optimization and the electronic structures of [Re (V)O(L A (1))Cl 2], [Re (V)O(L A (2))Cl 2], and [Re (V)O(L B (2))Cl] have been investigated with the framework of density functional theory. The absorption and circular dichroism spectra of the complexes were also calculated applying time-dependent density functional theory (TDDFT) using the conductor-like polarizable continuum solvent model to understand the origin of the electronic excitations. The chemical shift ( (1)H and (13)C) as well as (1)H- (1)H spin-spin coupling constant were also computed by th...Continue Reading

References

Sep 28, 1999·Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry·S KirschB Johannsen
Feb 24, 2001·Inorganic Chemistry·K J van BommelD N Reinhoudt
Dec 4, 1996·Inorganic Chemistry·M. S. PapadopoulosE. Chiotellis
Mar 12, 1997·Inorganic Chemistry·Bimal Kumar DirghangiAnimesh Chakravorty
Oct 24, 2001·Inorganic Chemistry·Mita ChatterjeeSomenath Banerjee
Dec 26, 2001·Chemical Reviews·S Liu, D S Edwards
Jan 16, 2003·Inorganic Chemistry·K K RajakA Chakravorty
Apr 1, 2003·Journal of Computational Chemistry·Maurizio CossiVincenzo Barone
Feb 12, 2004·Journal of the American Chemical Society·Peter Schwerdtfeger, Radovan Bast
Sep 24, 2004·Angewandte Chemie·Susanne KunzeRoger Alberto
Nov 9, 2004·Inorganic Chemistry·Christian TessierAndré L Beauchamp
Mar 3, 2005·Journal of the American Chemical Society·Christie Morrill, Robert H Grubbs
Apr 30, 2005·Inorganic Chemistry·Indranil ChakrabortyAnimesh Chakravorty

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Citations

Jan 13, 2017·Inorganic Chemistry·Jinyong LiuTimothy J Strathmann
Mar 2, 2013·Dalton Transactions : an International Journal of Inorganic Chemistry·Martin SteinbornPeter Klüfers

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