This tag is for questions looking for a single specific, or a small number of (citable) references.

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5
votes
2answers
60 views

Is it wise to use ECPs on light atoms for electronic structure calculations?

So, I have a big organic molecule consisting of $\ce{H}$, $\ce{C}$, $\ce{O}$, and $\ce{N}$ atoms and the goal is to find its equilibrium geometry and US/Vis spectrum. The molecule is so big that I was ...
4
votes
3answers
101 views

What are some books, websites, etc. where I can find the detailed protocol for standardization of sodium thiosulfate with dichromate?

I am looking for a book or website such as "Vogel's Textbook of Quantitative Chemical Analysis" where I can find methods for analyzing/standardizing a particular species easily. I am not looking for ...
5
votes
1answer
30 views

What is the Ksp of Al(OH)3?

Top hits on google are: This site Aluminum hydroxide $\ce{Al(OH)_3}$ >> $ 1.3×10^{–33}$ and This site Aluminum hydroxide $\ce{Al(OH)_3}$ >> $ 3×10^{–34}$ which is one order of magnitude ...
1
vote
0answers
24 views

Reference request for the number of solvents around a solute

I want to know if there is a way to find number of solvent molecules that are directly embracing a solute molecule ( something like a reference or table that shows waters of hydration ). Particularly ...
1
vote
1answer
21 views

What fraction of hydrogen in air results in an explosive mixture?

I would like to know if there is documented evidence of the quantity of hydrogen to air that must be present in the mixture to risk explosion or flame.
6
votes
4answers
181 views

How can I calculate the charge distribution of a water molecule?

I would like to obtain the 3D charge density of a water molecule for plotting purposes (i.e. not necessarily super-accurate). I know this is a tough problem, but I'd like to give it a try. Since I'm ...
6
votes
1answer
107 views

UV/Vis spectroscopy transition reference

There are mainly fundamental transitions happening during excitation and UV/Vis spectroscopy (as n- > σ* ,π->π* ,n- > π ,..). I am looking for a good reference that shows these transitions for ...
3
votes
1answer
49 views

Reference for UV/Vis Spectroscopic Data request

I am looking for a complete reference of UV/Vis spectroscopic data for organic materials ( mostly interested in λmax ) . I have the CRC handbook but it only has data about some organic solvents in ...
2
votes
0answers
20 views

Ink / formulation chemistry: What lab requirements

Little open information can be found on the requirements of the manufacture, development and testing of gel and printing inks. It seems that most ink manufacturers have their own specific lab ...
1
vote
2answers
80 views

Equilibrium constants for lewis acids such as Ca2+

I need to calculate the theoretical $\mathrm{pH}$ in a $50~\mathrm{mL}$ water solution where $6.4\times10^{-4}~\mathrm{g}$ of $\ce{Ca^{2+}}$ is present. The reaction I base this on is the following ...
1
vote
1answer
30 views

Cohesive Energy Density table request

Quick question: Any one knows a resource for Cohesive Energy Density of some organic materials ? I am not looking for any specific molecule, actually I want to plan my project based on available ...
9
votes
2answers
97 views

Proper dash to use for negative charge

What type of dash does one use when indicating something like F$^{-}$? I assumed it was a minus, since you indicate positive charge with a +, but there is one professor I know who insists that it ...
3
votes
1answer
35 views

Which plastic type is used inside dishwashers?

We have a drinking bottle made partly from polypropylene that wraps when washed in a dishwasher. We would like to change the plastic type so that it can withstand in dishwasher. I know for a fact ...
5
votes
1answer
64 views

Rate constants for water exchange

Are rate constants for water exchange of transition metal aqua-complexes tabulated anywhere ? I haven't been able to find a resource which is anywhere near comprehensive.
15
votes
1answer
164 views

What would follow in the series sigma, pi and delta bonds?

I realise, that this question is a stretch, but I was wondering, how would a bonding orbital be called if it was formed from two $f_{x(x^2−3y^2)}$ or $f_{y(3x^2−y^2)}$ orbitals. Have there been any ...
4
votes
1answer
45 views

Is there a list of known rate laws for reactions?

I've been scouring the web for a website/pdf that lists reactions and their corresponding rate laws. Something like: \begin{align} \ce{A + B &-> C} & ...
3
votes
0answers
55 views

What is the most accepted explanation of aurophilicity?

Gold has a special property called aurophilicity. Inorganic chemistry by Huheey has some explanation, but that was not enough to clear the conception.
13
votes
2answers
187 views

Conductivity as a function of acid concentration

I have conducted an experiment measuring the conductivity of both hydrochloric acid and sulfuric acid in solution respectively, with varying concentration. Wikipedia as well as a question on the site ...
2
votes
2answers
45 views

Open data in chemistry?

I am a student in computer science, which is a field where sharing research data and source code is very very much recommended. I am looking for sites where data from chemistry experiments could be ...
2
votes
1answer
74 views

How strong is 2,4,6-trinitrobenzenesulfonic acid?

What is pKa or Hammett's function of 2,4,6-trinitrobenzenesulfonic acid? PubChem says 0.13 for pKa, but in what solvent? - I doubt it's a value for water. EDIT: If it is real value for water why ...
0
votes
0answers
22 views

How do I obtain PDF/ICDD/JCPDS?

I'm having trouble finding JCPDS of a material. I'm specifically looking for Na-titanate.
3
votes
1answer
60 views

Why is electronegativity increasing with oxidation state increase?

I may be a rudimentary fact or something really "not-that-hard-to-figure-out", but In inorganic chemistry it is common to consider a single value of the electronegativity to be valid for most ...
2
votes
2answers
105 views

Periodic table for printing

I there a Good Version of a printable Periodic table Which is minimalistic and gives necessary information only such as - At. Number Element Name At. weight Shell configuration color coding of ...
0
votes
1answer
42 views

In ionic solids such as NaCl, do the cations fill interstital holes in the cation's cubic close pack structure? [duplicate]

Are binary ionic solids like $\ce{NaCl}$ comprised of a cubic close packed structure of the anions with the cations filling interstital holes or do the cations and the anions contribute to the cubic ...
2
votes
2answers
670 views

Determine the Value and Units of the Rate Constant

Consider this initial-rate data at a certain temperature for the reaction described by $$\ce{2NOBr(g) \rightarrow 2NO(g) + Br2(g)}$$ ...
4
votes
1answer
88 views

Is there a pressure dependent function for freezing points of water and carbon dioxide?

I'm trying to determine whether or not certain compounds form solid ice at certain atmospheric pressures. These pressures vary significantly, from 0.001 atm to 800 atm. I understand that there is no ...
2
votes
1answer
78 views

Is oil shinier than water? Why?

The physics part: The part that talks about being shiny, I agree, is mainly physics. But proceed in my question, and you'll see how it's a chemistry one. We know things are shiny if they either ...
6
votes
2answers
101 views

Cell overpotential diagrams

Is there anyone who knows a book where I can find a detailed explanation of cell overpotential diagrams, like the ones shown here? Thanks in advance!
0
votes
3answers
50 views

Luminescent materials under IR radiation?

is there a database somewhere of materials that are luminescent when exposed to Infra Red radiation?
4
votes
0answers
35 views

Is there an authoritative list of chemical reactions/transformations? [closed]

Is there somewhere where I can find an authoritative list of chemical reactions, energy requirements, known catalysts, etc.? If not, how do you know if and how to transform substance A to substance B? ...
2
votes
1answer
95 views

Public API for physical properties

Is there a publicly available API that serves physical property data for organic molecules? Pubchem does not serve properties, chem spider closes property access to API calls, and toxnet only serves ...
0
votes
0answers
54 views

Molecular structure of all periodic table element molecules exceptional cases etc

I am searching about some basics in chemistry. I was looking for the molecular structure of all periodic table element molecules. eg: Hydrogen molecule: as $\ce{H2}$; structure: I was able to find ...
1
vote
0answers
66 views

Reference request- List of common Coordination Complexes? [closed]

I'm studying for a big chemistry exam that always has a question about predicting reactions. One thing that almost always trips me up is coordination complexes. For example, one such question asked ...
0
votes
0answers
18 views

Good resource for chemical equivalence

I need a good resource that explains the concept of chemical equivalence and its various application in physical chemistry. I have not found anything worthwhile from a Google search.
0
votes
1answer
75 views

Good book for foundational chemistry [closed]

I need a good book that explains the basics of chemistry in a lucid and importantly, systematic manner. Most books on this subject are not comprehensive and assume that the reader is well acquainted ...
2
votes
1answer
328 views

Can someone recommend me a book ( preferably written long ago) that includes all the details of high school chemistry?

The textbook I got from my teacher is shown to be too general. Part of the fun of learning chemistry, for me, comes from knowing the derivation of equations. But most of the derivations are missing ...
1
vote
0answers
20 views

Two-dimensional Networks of Coordination Polyhedra

Does anyone know of any references that use {V/P, P/V} notation? This involves polyhedra joining to form polygons, or vice versa (this is where my confusion lies) V/P may refer to the number of ...
1
vote
0answers
45 views

Nomenclature in Other languages

Even one letter can make a huge difference in Chemistry Nomenclature. So I am looking for credible resources that is specifically published for explaining Nomenclature rules, examples in Spanish. Any ...
5
votes
3answers
195 views

Introduction to Chemistry Textbook - Theory based

TL:DR conditions below Highschool to first year undergraduate level Theory based(Experimentation not wanted) General - Giving a good introduction to all or most areas of Chemistry Rigorous - ...
2
votes
0answers
86 views

Delta G values for Pyruvate--> Alanine vs. Oxaloacetate -> Aspartate ->Asparagine

What are the delta G values for the mammalian (human) biosynthesis of alanine from pyruvate, and for the conversion of oxaloacetate to asparagine? (assuming no particular cellular restriction or other ...
7
votes
1answer
100 views

What general uses do beta-lactam functional groups have?

I am currently working on a mechanistic study that deals with stereoselective $\beta$-lactam formation. I am well aware that there is a class of antibiotics, that involve this particular functional ...
0
votes
1answer
26 views

Need a pair of compounds that is similar in formular but different in structure for exmaple

I would like to explain chemical formulas is not representable in terms of the molecular structure of the compound. Any good suggestions of examples?
3
votes
2answers
581 views

Is “Propanol” correct name according to the latest IUPAC nomenclature?

My teacher said that Propan-1-ol can also be written as Propanol in latest IUPAC nomenclature. I doubt this because wikipedea mentions only Propan-1-ol in IUPAC naming and Propanol in other names. ...
3
votes
1answer
44 views

Atmopsheric Gas IR-Spectra

I am looking for normal resolution IR-spectra of: $\ce{O2}$ and $\ce{N2}$ at high concentrations and; common minor gas in atmosphere: $\ce{H2O}$, $\ce{CO}$, and $\ce{CO2}$ at environmental ...
5
votes
3answers
209 views

What is the conformer distribution in monosubstituted fluoro bullvalene?

Bullvalene is a fluxional molecule able to interconvert any two carbon atoms through a series of degenerate Cope rearrangements (read the Stereodynamics section of this article if you would like more ...
3
votes
1answer
120 views

Are ther known compounds of Argon? What is their molecular geometry and hybridisation?

Can Argon hybridize orbitals and/or form covalent-like/ionic-like compounds? Is there any study of that? I would be happy to read concrete references. What kind of molecular geometries for argon ...
2
votes
2answers
64 views

Microbial Fuel Cell

Does anyone know of a step by step guide to building a microbial fuel cell? Could someone here on Chem SE possibly provide one? I am looking for something like THIS but for the whole fuel cell and not ...
0
votes
2answers
72 views

Monomers and polymers

At Wikipedia a monomer is defined to be a molecule that may bind chemically to other molecules to form a polymer. A polymer is defined to be a molecule composed of many monomers. These ...
3
votes
1answer
58 views

What is some advance reference books about alloy that gives a lot historical background and applies a lot of theoretical equation or formulas

What is some advance reference books specifically about alloy that gives a lot historical background and applies a lot of theoretical equation or formulas with explanation? I seem to find nothing ...
3
votes
1answer
211 views

Vibrational Spectrums of HI, HBr, HF, and HCl

Do you all know of any large graphs for the vibrational spectrums of HI, HBr, HF, and HCl? I need graphs that are large enough to see the spacing between the peaks in the spectra of HCl, HBr, and HI. ...