Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP)†

نویسندگان

  • Jesús Jover
  • Natalie Fey
  • Jeremy N. Harvey
  • Guy C. Lloyd-Jones
  • A. Guy Orpen
  • Gareth J. J. Owen-Smith
  • Paul Murray
  • David R. J. Hose
  • Robert Osborne
  • Mark Purdie
چکیده

We have expanded the ligand knowledge base for bidentate P,P- and P,N-donor ligands (LKB-PP, Organometallics2008, 31, 1372-1383) by 208 ligands and introduced an additional steric descriptor (nHe8). This expanded knowledge base now captures information on 334 bidentate ligands and has been processed with principal component analysis (PCA) of the descriptors to produce a detailed map of bidentate ligand space, which better captures ligand variation and has been used for the analysis of ligand properties.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

A ligand knowledge base for carbenes (LKB-C): maps of ligand space.

We describe the development of a ligand knowledge base designed to capture the properties of C-donor ligands coordinating to transition metal centres, LKB-C. This knowledge base has been developed to describe both singlet (Arduengo and Fischer) and triplet (Schrock) carbenes, as well as related neutral monodentate C-donor ligands. The descriptors evaluated and used have been derived from a rang...

متن کامل

Synthesis and Characterization of New Mercury (II) Complexes with Bidentate Chelating Schiff Base Iminopyridine Ligand

First, Schiff base iminopyridine ligands has been prepared by the condensation between primaryamines, different substituted anilines and active carbonyl group of pyridine carboxaldehyde, thenthe complexes [diiodo (3-ethylphenyl) pyridine-2-yl methylene amine] mercury(II), complex a,[dibromo (2,5-dimethylphenyl) pyridine-2-yl methylene amine] mercury(II) complex b, and[dinitrato bis-(2,6-dimethy...

متن کامل

Synthesis, spectroscopic investigation and coductometry of a new hexadentate symmetric Schiff base ligand containing N2O2S2 donor atoms and related complexes with Cd(II), Zn(II), Co(II) and Mn (II) metal ions

In this paper, we report the synthesis and characterization of a new symmetric macroacyclic Schiff base ligand (H2L) and related complexes with different metals. (H2L) was synthesized by the one pot condensation reaction of 2-[2-(2-formyl phenoxy)ethoxy]benzaldehyde and 2-aminobenzenethiol in a 1:2 molar ratio. The acyclic Schiff base was characterized by IR, NMR spectroscopy and elemental anal...

متن کامل

On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes

The relation between spectroscopic observables and the detailed metal–ligand bonding features in chelation complexes is addressed using both experimental and state-of-the-art theoretical and computational methods. We synthesized and characterized a set of six nickel dicarbonyl complexes of general formula [Ni(CO)2(PP)], where PP is an atropoisomeric chelating diphosphine ligand. The analysis of...

متن کامل

On the relation between carbonyl stretching frequencies and the donor power of chelating diphosphines in nickel dicarbonyl complexes† †Electronic supplementary information (ESI) available: Antisymmetric νexpCOvs. pK a and E 0, calculated β angles, correlation between CTdon and νcalcCO, experimental 1H, 13C{1H}, 31P{1H} NMR spectra of complexes, and optimized geometries of the complexes. See DOI: 10.1039/c7cp00982h Click here for additional data file.

The relation between spectroscopic observables and the detailed metal-ligand bonding features in chelation complexes is addressed using both experimental and state-of-the-art theoretical and computational methods. We synthesized and characterized a set of six nickel dicarbonyl complexes of general formula [Ni(CO)2(PP)], where PP is an atropoisomeric chelating diphosphine ligand. The analysis of...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره 31  شماره 

صفحات  -

تاریخ انتشار 2012