Questions tagged [reference-request]
This tag is for questions looking for a single specific, or a small number of (citable) references.
322
questions
0
votes
1answer
29 views
How to properly model a mechanochemical reaction of barium titanate and copper(II) complexes?
I would like to understand, in terms of chemical kinetics, how I could equate the reaction rate between $\ce{BaTiO3}$ and copper(II) complexes under ultrasound effect.
Examples in literature would be ...
3
votes
0answers
34 views
How does one calculate the electronic difference density in practice?
I am interested in calculating electronic difference density maps. These have been described for quite a long time by Bader and others. For example, below is the fourth of a series of papers which ...
5
votes
1answer
89 views
What is “dithreitol”?
The article by Hu et al. [1] mentions a compound "dithreitol" in the Saliva Proteome Analysis section (emphasis mine):
For the "shotgun" approach, saliva samples (1 mL) were pre-fractionated with ...
-1
votes
0answers
28 views
What is the Gibbs free energy of Lithium-Graphite and Lithium Cobalt-Oxde
I'm trying to do some hand calculations for Lithium-Ion batteries and I can't seem to find the standard state Gibbs free energy of formation for either Lithium-Graphite or Lithium Cobalt-Oxide. They ...
3
votes
1answer
78 views
Is there a list of must-have columns for LC-MS/MS used in biochemistry/clinical lab setting?
Considering a wide variety of chromatographic columns used for (U)HPLC based on
phase type (normal or reverse);
column dimensions (geometry, length, inner diameter);
particle material $(\ce{SiO2},$ $\...
1
vote
0answers
32 views
What is the activation energy of a Daniell cell?
I'm having trouble finding a posted literature value for the activation energy for the Daniell cell redox reaction:
$$\ce{Cu^2+ + Zn -> Cu + Zn^2+}$$
Where might I be able to find this ...
1
vote
0answers
14 views
Find drugs that have a particular solvent in a database [closed]
Is there a database where I can filter drugs for animal/human use by what ingredients/solvents they have?
I'm specifically looking for all the drugs with a specific solvent/chemical compound.
3
votes
0answers
50 views
Calculating the energy of a molecule using probability distributions
I wish to calculate the energy for a protein where the position of all the C-alpha atoms is known.
One way is to calculate the pairwise distances between the atoms and then look up a probability ...
0
votes
0answers
29 views
Reference for Hammett acidities of dilute H2SO4?
When $\ce{H2SO4}$ is dissolved in water in little amounts ($<\pu{1M}$), the $\mathrm{pH}$ scale can be used to measure the acidity of the solution. However, in larger concentrations, this breaks ...
0
votes
1answer
55 views
Polymers which are miscible in oil
Can someone suggest me a list of polymers or some paper where I may find polymers that are soluble in oils like silicon oil, mustard oil, coconut oil, bean oil or petroleum ether, etc.?
1
vote
1answer
35 views
Synthesis of the tetrachloroaluminate(III) anion
Looking for random chemicals, I found a reference on the anion and thought that it could be synthesised from common laboratory reagents:
$$
\begin{align}
\ce{2 Al + 2 NaOH + 2 H2O &-> 2 NaAlO2 ...
2
votes
2answers
519 views
Radius of hydride (H⁻) ion
What is the radius of the hydride $(\ce{H-})$ ion? There are several sources with conflicting reports on the same.
Inorganic Chemistry: Principles of structure and Reactivity cites Pauling’s 1960 ...
1
vote
2answers
116 views
How can iodine oxidise hydrogen peroxide?
The following is mentioned in NCERT (government textbook in India used in all schools) under chemical properties of $\ce{H2O2}:$
(iv) Reducing action in basic medium
$$\ce{I2 + H2O2 + 2 OH- -&...
6
votes
1answer
78 views
Is electron density a good measure of similarity between molecules?
I am looking for a good similarity measure between molecules in order to use it with machine learning algorithms. I found a paper, Carbó, R., Leyda, L. and Arnau, M. (1980), How similar is a molecule ...
3
votes
0answers
56 views
Is there a standardized way to assign a label to the symbol of a chemical element (in a published work)?
When referring to a particular atom, both in text and when using a graphical representation, several conventions are being applied.
In the field of crystallography an arabic numeral either follows ...
5
votes
1answer
74 views
How to recover C18 column after prolonged exposure to phosphate buffer?
A colleague of mine who occasionally does HPLC in a biochemistry lab discovered that a C18 column was not properly flushed after the previous experiment.
It appears that the column was stored for ...
3
votes
2answers
215 views
Reference request on potassium cyanide production method
I kindly ask for a reference for the following claim about potassium cyanide, found at potassium.atomistry.com:
It is also obtained by the action of a mixture of steam and nitrogen on potassium ...
3
votes
1answer
73 views
Is there a “Comprehensive Solid State” book?
We have Comprehensive Coordination Chemistry, Comprehensive Organometallics, Comprehensive Organic Synthesis and probably few other similar works that aim to do a wide review of recent works at the ...
0
votes
1answer
37 views
Typical reaction yield for combustion of hydrogen [closed]
I am writing an essay on the chemistry of rocket fuel, and I was wondering what, if any, would be a commonly accepted value for the actual yield of the reaction between hydrogen, $\ce{H2},$ and oxygen,...
1
vote
0answers
72 views
Literature value for the activation energy of the reaction between hydrochloric acid and sodium bicarbonate
Does anybody have the literature value for the activation energy of the reaction between hydrochloric acid and sodium bicarbonate? If yes, could you please cite the source for it and the value?
I ...
1
vote
0answers
47 views
Thermochemical data for thiocyanatoiron(III) ion
I am currently writing a lab report about the formation constant of $\ce{FeSCN^2+}.$ All I could find online was a formation constant at $\pu{25 °C}$ $(890),$ which was 70% higher than the ...
2
votes
1answer
43 views
Reference request on formate potash process
Wikipedia article on Potassium Formate mentions a so-called "formate potash process" for production of potassium, presumably referring to elemental metal.
Concise encyclopedia chemistry by Mary ...
3
votes
1answer
117 views
Energy cost of C−N rotation in hydroxamate group
I am looking for a literature reference on the energetic cost of C−N rotation in hydroxamate group such in LC5 in water. I have been googling for a while.
10
votes
1answer
984 views
Does sulfoxide H₂SO exist?
The question Does H2SO or H2CO have a higher dipole moment? left me wondering whether $\ce{H2SO}$ has already been synthesized.
There are experimental evidences that both hydrogen thioperoxide $\ce{...
1
vote
1answer
54 views
Can oxygen gas in air react with Mn3O4 to form MnO2?
I think $\ce{MnO2}$ at high temperature can be used as a catalyst for $\ce{SO2 + O2 -> SO3}$:
$$
\begin{align}
\ce{MnO2 + SO2 &-> MnSO4}\tag{1}\\
\ce{3 MnSO4 &-> Mn3O4 + SO2 + 2 SO3}\...
1
vote
0answers
86 views
Explanation for the reaction of gold and iodine(iii) solution
The Experiment
A few days ago I saw a video of dissolving gold in the condition of $\ce{ICl3/HCl(aq)}$. In the video, $\ce{ICl3(s)}$ is added to a test tube, followed by adding conc. hydrochloric acid....
0
votes
0answers
28 views
Database for experimental diatomic ionization energies
I am looking for a database, in which the experimental ionization energies (and e.g. heat of formation) of atoms and diatomic molecules are listed as files.
If it comes with a Python package, that ...
0
votes
0answers
40 views
Visualization of all hcp voids
There are 12 tetrahedral voids and 6 octahedral voids in hcp unit cell but I can't find any image that can show all tetrahedral voids and all octahedral voids in hcp unit cell (the common picture in ...
5
votes
1answer
276 views
What is the physical state of vitamin E acetate at room temperature and normal pressure
Vitamin E acetate ((+)-alpha-tocopherol acetate) is sold as semi-solid/liquid by Sigma and their safety data sheet gives the melting point as 25 °C. On the other hand, internet databases such as ...
3
votes
1answer
60 views
Do companies recover carbon dioxide and water from the purification step of cryogenic air separation, and how?
In the 3rd step of cryogenic air separation, filtered air is purified to remove water, $\ce{CO2},$ and hydrocarbons from the $\ce{N2}$-$\ce{O2}$-$\ce{Ar}$ stream. Im interested in knowing what happens ...
1
vote
0answers
37 views
Water replacement for pressure-testing [closed]
Due to circumstance, our Data Centre build has some delays and it currently looks like we're going to have to perform a hydrostatic test of our sprinkler system with live computers in it.
As I have ...
4
votes
1answer
97 views
Timescales in Chemical Analysis
Has anyone seen a comparative list of typical run times of the techniques used in analytical chemistry? I am making a list of rough timescales of analytical techniques (for a slide). Assume that the ...
1
vote
0answers
79 views
How to dissolve PLA/PCL/PMMA?
I have a research about electrospun membrane synthesis where I dissolve PLA pellets in chloroform:methanol (3:1) for 3 hours and also PCL pellets in chloroform:methanol (3:1) for 3 hours too. Another ...
0
votes
0answers
39 views
Supposed low temperature CaC2 synthesis
I came across an interesting reaction on allreactions.com under silicon tab:
SiO2 + 5C(coke) + CaO = Si + CaC2 + 3CO (800-1000°C)
Unfortunately the website doesn't provide sources and I wanted to read ...
0
votes
1answer
103 views
Diborane reduction
I am stuck at a step in reduction of alkene using $\ce{B2H6}.$ I assume that step 1 is the addition of borane to alkene. After that a water molecule attacks $\ce{-BH2},$ it being a Lewis acid. ...
9
votes
3answers
2k views
What is “super” in superphosphate?
This question is inspired from a previous question(marked unclear). I don't know about the context of that question but I was intrigued by a statement in that question:
Superphosphate is used ...
1
vote
0answers
31 views
Determining the composition of basic copper sulfate by titrimetry
A colleague shared an undergraduate level classical gravimetry/titrimetry experiment on determining the stoichiometry of basic copper sulfate. I am looking for a reference for this type of experiment. ...
5
votes
2answers
1k views
What is the most convenient way to prepare ferrous oxide (FeO) in the laboratory?
The Wikipedia page for ferrous oxide states that $\ce{FeO}$ can be prepared by the thermal decomposition of iron(II) oxalate, with the following reaction:
$$\ce{FeC2O4 → FeO + CO2 + CO}$$
And that ...
1
vote
0answers
234 views
Solubility product constant of copper(II) bromide in water
One of the questions from chegg.com mentions $K_\mathrm{sp}(\ce{CuBr2}) = 6.3\cdot 10^{-10}$, but I suspect this value might be incorrect.
Could anyone confirm or refute that $K_\mathrm{sp}$ value?
...
6
votes
0answers
123 views
Where to find experimental spin-orbit coupling constants?
I am searching for experimental spin-orbit coupling constants, particularly for main group elements and Cr(0) to calculate correlation consistent Composite Approach (ccCA) energetics. This method ...
2
votes
0answers
81 views
What is the activation energy barrier of uncatalyzed nitrogen fixation?
I'm interested in the activation energy ($E_\mathrm a$) of uncatalyzed aqueous nitrogen fixation:
$$\ce{3 H2 + N2 -> 2 NH3}$$
Biology performs this reaction with the nitrogenase enzyme at room ...
0
votes
1answer
94 views
How to distinguish mass concentration and density?
I am writing a proof where I have to mention both with density and of a material and mass concentration (mass/volume) of a material.
I am using the letter $\rho$ to represent density, and I didn't ...
0
votes
1answer
131 views
Reference on Pople basis set
I need to write reference on 6-311++g(d,p) basis set in my work where I used it on atoms of I-II periods. Does anyone know where it was first published?
1
vote
0answers
48 views
Bond dissociation energy calculation
I am looking for methods to determine the dissociation free energy in a precise way, ideally from a simulations. My hope is to get the most precise values possible that are specific to the structure ...
4
votes
1answer
105 views
What chemical could dissolve low-density polyethylene?
What chemical could dissolve plastic aside from acetone? Preferably, low-cost and environmentally friendly. Any suggestions would be helpful.
I'm targeting for thin plastic (low-density polyethylene)....
-1
votes
2answers
135 views
Density and concentration of hydroiodic acid [closed]
I weighted my hydroiodic acid sample: 25 ml weight 34.1 g, so the density is about 1.364 g/ml.
I want to know its concentration based on density. Does anyone have the corresponding density chart?
5
votes
2answers
179 views
Derivation of time probability distributions for single molecule kinetics
If we have a protein $\ce{A}$ that can bind to protein $\ce{B}$:
$$\ce{A + B <=>[$k_\mathrm{fwd,1}$][$k_\mathrm{rev,1}$] AB}$$
and the bound complex $\ce{AB}$ can be converted into $\ce{C}$:
$...
-2
votes
1answer
114 views
Can anybody recommend me a Calculus Based General Chemistry textbook? [duplicate]
I'm looking for a Calculus Based General Chemistry textbook. I checked Atkins Chemical Principals but I didn't liked it that much. I'd be awesome if I had some more options 😃
Thanks!
3
votes
1answer
97 views
What's the densest alkali metal?
This was asked in a school exam of mine, GCSE curriculum, exactly as it was worded on the title. I found this question a bit vague, and answered it francium, however of course francium is just an ...
1
vote
1answer
99 views
How often is the IUPAC Goldbook Updated?
I was wondering how often does the IUPAC update its Gold Book, ie, IUPAC Compendium of Chemical Terminology - the Gold Book.
It poped in my mind when I saw this question about jellium aromaticity, ...
