Hello!
I'm trying to model an interaction between ligands and a heme group using FMO in Gamess.
I've tried to make HMOs for the FMOBND section of the input file (using an Fe-F complex), the HMOs are shown below:
STO-3G 19 5
0 1 0.992624, 0.019366, 0.000000, 0.000000,-0.000001,-0.014838...
No template, thread moved from the main chemistry forum.
Summary:: Requesting help!
Mg2+ (aq) is also likely to form a complex with the ligand or ligands in your chosen complex. Show how the formation of the Mg2+ complex will affect the concentration of Ca2+ (aq).
More details in post below...
Transition metals, being metals, are electropositive.Ligands like ammonia,oxygen,chlorine etc ,on the other hand,are mostly electronegative(electron loving).How come the Ligands donate electrons to the electro positive(electron hating)transition metals when both have contradictory...
Hi everyone, this is my first thread!
I am currently undergoing a personal investigation that is based on one of the factors which effect the splitting of d orbitals in central metal ion by the charge density of ligands (in a complex ion).
However, recently I got stumped by trying to...
Hi Everyone
I'm studying material Engineering and I'm currently preparing chemistry for the summer exams.
Now, there is an old exam question which I don't know how to solve:
"In which temperature range does ##[W^{+VI}F_{6}^{-I}]## melt?"
My solution:
Well, the 18-Electron rule is not...
Question
Describe the color changes that occur when ##NH_{3(aq)}## is gradually added, with stirring to ##[CuCl_4]^{2-}_{(aq)}## until the ##NH_{3(aq)}## is in excess.
Identify the three compounds or ions responsible for the new colors.
Now the marking scheme shows that somehow...
Hello! I analise metal chemical shifts, its formula is MR4, where M is transition metal, like Palladium,
and there is some trend:
I > CN > Br > NH3 > NO2 > Cl > H2O,
the same trend is observed for similar complex of formula: Pd(R)3Cl, Pd(NH3)2X2, Pd(R)Cl3
So, the metal signal shielding...
Hi,
why polarizability of ligand -OH2 is bigger than of -H? what is the polarizability of NO2 comparing to them and e.g. I? i know that for halogens, it increase with increase of size of halogen down the group (electrons have more space on bigger atom), but how it is with other ligands?
Thank you.
Homework Statement
So i have triammineaquadihydroxochromium(III) chloride and i have to write the formula.
Homework EquationsThe Attempt at a Solution
So there's (NH3)3, H2O, (OH)2, Cr and a Cl anion
I know the transition metal goes first, and the charge of the complex is 1+ so it'll be = {Cr...
Homework Statement
Describe, using sketches, how the following ligands can act as both σ-donors and π-acceptors:
CN-
P(CH3)3
SCN-
Homework EquationsThe Attempt at a Solution
I suspect it has something to do with these ligands having lone pair electrons AND open π* orbitals.
How correct is this...
Homework Statement
From what I've read, [Cu(H2O)6]2+ when reacts with concentrated hydrochloric acid, the chloro ligand will displace the aqua ligand and form [CuCl4]2-
Homework Equations
[Cu(H2O)6]2+ + 4Cl- <--> [CuCl4]2- + 6H2O
( <---> means reversible reaction, I don't know how to type it...
In this article:
http://jredman.kombyonyx.com/thesis/Ch16.htm
they mention "axial ligands" and "peripheral ligands". What exactly does that mean? Heres the molecule they use as an example:
http://jredman.kombyonyx.com/thesis/Ch16_files/image002.gif
I can see that the porphyrin rings both...
Homework Statement
So I'm looking at the spectrochemical series of ligands which has that
I- < Br- < Cl- < F- < OH- < ox2- < H20 < NH3 < en <bpy< phen <CN-
Where the left side are weak field ligands and the right side are strong field ligands.
A lot of my homework problems involve...
Hi I have a question I was wondering if y'all could clear up. Let's say I have two metal cations, Iron (III) and Manganese (II). Will binding them to an anionic ligand lower their reduction potentials (making each a better redundant) and if so why?
Is it because the anionic charge of the...
Could someone explain SELEX (systematic evolution of ligands by exponential enrichment) or at least direct me to a good resource online because so far I have'nt found a decent explanation or website regarding SELEX online.
Homework Statement
Homework Equations
I am working on a formal lab report for an inorganic chem course and forget how to construct a spectrochemical series. I have 4 complexes, each has a single absorption band in the UV-Vis spectrum.
[NiBr(Mes)(PPh3)2] 450nm
[Ni(Mes)Br(bipy)]...
I read that all ligands are Lewis bases but I then read that the number of anionic ligands attached to a metal will determine its oxidation state. Which is it? Let's use chlorine as an example. Before this ligand binds to the metal is it a Cl- ion or a neutral Cl atom? If its the former I can...
Homework Statement
Draw out the electron configuration of [Fe(H2O)6]3+
The Attempt at a Solution
I did the work, but i am not sure if its correct:
Is the following electron configuration correct for this complex?
[Fe(H2O)6]3+:
[Ar]
4s [ i L ]
3d [ i L l i L l i L l...
phosphine ligands on transition metals generally tend to orient trans to one another in order to minimize steric interactions (ESPECIALLY so for bulky PR3 groups)...
under what conditions, if any, would BULKY PR3 ligands orient themselves in a cis formation? in other words... what other...