LFP: A PC-program for Ligand-field Analysis of 3dn Ions in Oh and Lower Symmetries
نویسنده
چکیده
A modular and efficient version of PC program for calculating ligand-field parameters, i.e. crystal-field model (CFM) and angular overlap model (AOM) is presented. The LFP program is designed to calculate the ligand-field parameters of low symmetry transition metal complexes. It is based on the general method for the analysis of central ion states distortion using group theory. The program has not closed form. It will be extended, according to spectroscopic studies in our laboratory. It is written in FORTRAN language.
منابع مشابه
Online analysis of local field potentials for seizure detection in freely moving rats
Objective(s): Seizure detection during online recording of electrophysiological parameters is very important in epileptic patients. In the present study, online analysis of field potential recordings was used for detecting spontaneous seizures in epileptic animals.Materials and Methods: Epilepsy was induced in rats by pilocarpine injecti...
متن کاملDevelopment of a Polyfunctional Dipodal Schiff Base: An Efficient Chelator and a Potential Zinc Sensor
A novel polyfunctional dipodal ligand, L = N,N'-bis[2-[(2-hydroxy-1-naphthyl)methyleneamino]ethyl]propanediamide (DOTA2HNAP) was developed and characterized through elemental and spectral analyses. The complexation behavior of the ligand was investigated with Co2+, Cu2+, and Zn2+ metal ions by potentiometric and spectrophotometric methods in H2O-D...
متن کاملSynthesis, 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 کاملA Diffusion Equation with Exponential Nonlinearity Recant Developments
The purpose of this paper is to analyze in detail a special nonlinear partial differential equation (nPDE) of the second order which is important in physical, chemical and technical applications. The present nPDE describes nonlinear diffusion and is of interest in several parts of physics, chemistry and engineering problems alike. Since nature is not linear intrinsically the nonlinear case is t...
متن کاملSynthesis, Characterization and Theoretical Studies of a New Macroacyclic Schiff-Base Ligand Containing Piperazine Moiety and Related Mn(II), Cu(II), Ni(II) and Cd(II) Complexes
Four new [NiH2L](ClO4)2 (1), [CuH2L](ClO4)2 (2), [MnH2L](ClO4)2 (3) and [CdH2L](ClO4)2 (4), complexes were prepared by the reaction of a new Schiff base ligand and Cu(II), Ni(II), Mn (II) and Zn (II) metal ions in equemolar ratios. The ligand, H2L was synthesized by reaction of 1, 4- bis (2- formylphenyl) piperazine and ethanol amine and characterized with IR and 1H,13C NMR spectroscopy. All co...
متن کاملذخیره 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 ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Computers & chemistry
دوره 24 3-4 شماره
صفحات -
تاریخ انتشار 2000