DFT and experimental study of the structure and vibrational spectra of 2-(benzylthio)-N-{pyridinylmethylidene}anilines

Structure and spectroscopic properties ofN,S-coordinating 2-methylsulfanyl-N-[(1H-pyrrol-2-yl)methylidene]aniline methanol monosolvate

“…Compounds that contain N-and S-donor atoms have exhibited biomedical activities such as antibacterial properties. In addition, such N,S-compounds can be useful ligands to form transition metal complexes which we have been investigating for their use as biomimetic models for Cu enzyme models (Alberto et al, 2013;Cross et al, 2011). Recently, we have reported the synthesis and structure of xylylene-bridged bis- [ortho-aminothiophenols] for the design of binuclear transition metal complexes (Alberto et al, 2013;Cross et al, 2011).…”

“…In addition, such N,S-compounds can be useful ligands to form transition metal complexes which we have been investigating for their use as biomimetic models for Cu enzyme models (Alberto et al, 2013;Cross et al, 2011). Recently, we have reported the synthesis and structure of xylylene-bridged bis- [ortho-aminothiophenols] for the design of binuclear transition metal complexes (Alberto et al, 2013;Cross et al, 2011). Copper complexes of these N 2 S 2 -ligands are studied as small biomimetic metal models for the analysis of non-blue/type-II copper enzymes such as peptidylglycine -hydroxylating monooxygenase (PHM), which is one of the two non-coupled copper ion domains of the bifunctional peptidylglycineamidating monooxygenase (PAM, EC 1.14.17.3) (Klinman, 2006;McIntyre et al, 2009).…”

Ruthenium (II) complexes bearing thioether‐appended α‐iminopyridine ligands: Arene precursors permit access to κ2‐N,N and κ3‐N,N,S complexes

“…R = H) are known, these compounds are also known to isomerize to form the corresponding benzothiazoline or benzothiazole, or to generate the corresponding disulfide . Introduction of a thioether substituent blocks this tautomerization, enabling the preparation of complexes of pmtpm ( L1 , Scheme 1) featuring manganese(I), iron(II), cobalt(II), nickel(II/III), and ruthenium(II) centers . Early reports emphasized the structural homology between these complexes and the related metalloenzymes (e.g.…”

Ruthenium(II) Complexes Bearing Thioether-Appended α- Iminopyridine Ligands: Arene Precursors Permit Access to K2-N,N and K3-N,N,S Complexes

“…R = H) are known, these compounds are also known to isomerize to form the corresponding benzothiazoline or benzothiazole, or to generate the corresponding disulfide. [51][52][53][54][55] Introduction of a thioether substituent blocks this tautomerization, [56][57][58] enabling the preparation of complexes of pmtpm (1, Scheme 1) featuring manganese, 59 iron, 60 cobalt, 56 nickel, 61,62 and ruthenium. 63,64 Early reports emphasized the structural homology between these complexes and the related metalloenzymes (e.g.…”