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Questions tagged [reference-request]

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

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5
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6answers
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Resources for learning Chemistry

Based on various other Stack exchange site (Mandarin Chinese, Russian and German), we adapt this project here for chemistry, since it's a great idea to have all kinds of resources in one place. This ...
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1answer
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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 ...
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2answers
1k views

Which is the currently accepted mechanism of a Wittig reaction?

The Wittig reaction is one of the most significant advances in synthetic organic chemistry in the 20th century and rightfully won its discoverer, Georg Wittig, the Nobel Prize in Chemistry. A Wittig ...
22
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3answers
663 views

What is the isomer distribution in monosubstituted fluorobullvalene?

Bullvalene (tricyclo[3.3.2.02,8]deca-3,6,9-triene) is a fluxional molecule able to interconvert any two carbon atoms through a series of degenerate Cope rearrangements (for more information, see the ...
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5answers
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Is there a database on chemical reactions, similar to NIST, but far more complete?

The only thing I'm interested in is to be able to search all reactions involving that compound in the database. Equilibrium constant, reaction rate and energy of activation would all be very welcome, ...
38
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4answers
914 views

Do symmetric hydrogen bonds in neutral molecules exist?

As far as I know, there have only few truly symmetric hydrogen bonds been observed. Unquestionable is the existence of it in the bifluoride ion, $\ce{[F-H-F]-}$, see also here. There are a couple of ...
18
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5answers
11k views

Where can I find a downloadable spreadsheet of element properties?

Sorry for the FAQ, but I really don't know where to find a full spreadsheet for element properties. I mean a table that has one row for each element, and the columns are its properties, such as name, ...
8
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1answer
1k views

How to choose proper active space in method such as CASPT2 and CASSCF?

I am confused about other research paper which use CASPT2 method. I am not clear about how to choose active space. What can I refer to? (tutorial reviews, papers, or any other things)
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2answers
1k 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, ChemSpider closes property access to API calls, and Toxnet only serves ...
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2answers
2k views

Hash and Wedge nomenclature

One of the first things learnt in organic chemistry is that wedged bonds can be thought of as bonds coming out of the plane of the paper towards you, and hashed bonds can be thought of as bonds going ...
19
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3answers
2k 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 ...
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5answers
7k views

Which substance has the highest temperature range between melting and boiling point

Which substances exist that are normally liquid and that will not freeze nor boil even at relatively low/high temperatures as compared to the freezing and boiling points of water? Or how can I ...
4
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1answer
378 views

What exactly does the “per mole” unit of heat of atomization mean?

I am facing a confusion in the definition of the standard enthalpy of atomization. The confusion arises because of the "per mole" in its units ($\pu{kJ mol^-1}$). My question: When I say "per mole", ...
4
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1answer
125 views

Quotable Literature for the Enthalpy of a Proton

A proton obviously has no electronic energy, no vibrational and no rotational degrees of freedom. Therefore I think it is fair to assume, that $$H(\ce{H+})=\frac32\cdot \mathcal{R}\cdot T$$ holds for ...
23
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1answer
2k views

Theoretical basis behind orbital correlation diagram for pericyclic reactions

When discussing pericyclic reactions, the Woodward-Hoffman rules allow one to predict whether a reaction will be thermally/photochemically allowed. This has been discussed in many questions on chem.SE,...
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3answers
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Is Hexafluorocyclohexane the “Most Polar” Small Molecule?

Earlier this year, there was a lot of attention when all-cis 1,2,3,4,5,6-hexafluorocyclohexane was synthesized*: Notably, C&E News quoted the lead author: This compound is remarkable for being ...
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1answer
474 views

What are modern approaches to describe and/or quantify aromaticity?

I know that Schleyer described an approach for evaluating aromaticity using nucleus-independent chemical shifts (NICS, see e.g. Chem. Rev. 2005, 105 (10), 3842–3888) quite some time back. I also ...
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3answers
392 views

Free chemical database to search for physical properties?

I am looking for an Open-access tool that can search "backwards", eg. give me all the structures corresponding to a given heat of formation, critical pressure, etc. It would be even better if the ...
10
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1answer
188 views

Is isobutyl chloride or ethyl chloride more reactive in an SN1 reaction?

Compare the rate of $\mathrm{S_N1}$ reaction in the following compounds: We see that both compounds form primary carbocations. However, there is more hyperconjugation in the second compound as ...
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1answer
392 views

References for Transition State Theory and Quantum Transtion State Theory

Having asked recently this, I started to look for good references and notes on Transition State Theory and, also, modern versions of it including things like tunneling (which isn't taken into account ...
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1answer
229 views

House-hold chemistry experiments for a high-school student [closed]

I want to experiment the things which we learn in chemistry as a twelfth grader.I want to do them at my home but I'm not supplied with enough reactants.What can I do by using such reactants. I tried ...
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1answer
283 views

What are introductory level books on chemical engineering?

I'm currently enrolled in a chemical engineering course in my college, and in my first year, I'd like to get a nice introductory book on that field of study. I'd prefer that the book covers several ...
7
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1answer
594 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 ...
4
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1answer
2k 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 ...
19
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1answer
242 views

What did actually happen when Staudinger tried to synthesise diamond?

It is a famous reaction that used to be a teaching lab experiment, but is now banned in Germany, because it is too dangerous. To quote-translate quite liberally from the German www.seilnacht.com: ...
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3answers
982 views

What is the formally correct notation of t-Bu, i-Pr, p-NO2, n-Bu, a-HCl, etc.?

In chemical notation, can I safely assume that the notation of a single lower-case latin character followed by a hyphen followed by an Element upper-case latin character (and possibly more characters)...
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3answers
30k views

Does milk drinking prevent long-term chemical poisoning?

I have heard some rumors that drinking milk prevents chemical poisoning. I have done a bit research and some sources confirm that. Corrosive Poisons The best first aid is to dilute the poison ...
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1answer
577 views

What are the most extreme chemicals?

Some chemicals certainly have extraordinary properties. One can consider them extreme in a sense, that they are the prime example for a concept, or they achieve the highest or lowest values in a ...
11
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1answer
237 views

Which electronic effects are responsible for the reduction of nucleophilicity of a hydroxy group orthogonal to an ester?

I am facing a similar synthetic problem as Boekman Jr. et al noted in their synthesis of Tetronolide.[1] I will quote their’s rather than disclosing my actual synthetic problem, but note that the key ...
8
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1answer
1k views

What substance has the lowest Kₛₚ value?

What substance has the lowest $K_\mathrm{sp}$ and what is its value? The lowest I could find is $2.6\cdot 10^{-124}$ for cobalt(III) sulfide $\ce{Co2S3}$.
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2answers
964 views

Reaction of borax with NaOH

How does borax react with NaOH? My textbook says that sodium peroxoborate is formed. I couldn't find the reaction anywhere else. Can anyone verify as well as explain it?
4
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1answer
50 views

How to show a band structure for water?

This question is generated by my attempt to answer this one. I thought I could demonstrate that electronic conduction in water is possible because of the impact of an electric field on the band ...
3
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1answer
1k 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 ...
8
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1answer
946 views

Difference between single point energy and dimerization energy

I am investigating potential energy surface characteristics of some electrostatic monomeric interactions e.g. $\ce{F-H}$...$\ce{F-H}$. I'm using DFT and SCS-MP2 to perform the necessary calculations ...
8
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1answer
317 views

Tunneling corrections in reaction rates

I've studied Transition State Theory since I asked this a while ago, but so far I have not been able to find a detailed explanation of how tunneling corrections are implemented into reaction rates ...
6
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1answer
5k 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 ...
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1answer
6k views

Why is the standard enthalpy of formation of elements in their native forms zero?

Why is the standard enthalpy of formation of $\ce{O2}$ and other reference forms of elements equal to zero? Well, from what I know, bonding releases energy. Also, does anybody know a source for ...
3
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0answers
154 views

How far has “self-organizing chemistry” gone? [closed]

This is my first question here so, please, bear with me if I go out of the style or the scope of the SE section. I think I am quite new here, so I am prone to make mistakes. I am a molecular ...
3
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0answers
199 views

How to get the SMILES from structure without software?

Usually I use online programs and structure drawing tools to find the SMILES of a compound. How to find the SMILES without software? Where to find resources to learn it?
3
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2answers
452 views

A basic question about tetramethylammonium hydroxide --strong or weak?

This is a follow-up to the question here. There is an answer claiming that tetramethylammonium hydroxide (TMAH) is a suitable strong base that can be used instead of the usual alkalies to reach pH 14....
3
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1answer
195 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
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2answers
736 views

Good Introduction to chemistry textbook [closed]

I want to learn basic chemistry, so which textbook do you think I should pick? It should be something both concise and clear. Thank you.
3
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2answers
203 views

How to name the tautomers of hexane-2,4-dione correctly according to IUPAC rules?

Today I was considering to answer the question "Which tautomer of hexane-2,4-dione is more stable?" I wanted to run a few calculations and while preparing a directory structure I wanted to make sure ...
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1answer
669 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 ...
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1answer
3k views

Which metals hydroxides dissolve in excess NH4OH?

Some metal hydroxides like $\ce{Ag(OH)}$ and $\ce{Cu(OH)2}$ dissolve in excess $\ce{NH4OH}$ to form metal ammonia complexes. I want to know which other common metal hydroxides dissolve in excess $\ce{...
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1answer
845 views

Does the outcome of aromatic nitrations depend on the concentrations of nitric acid and sulfuric acid?

I came across a few equation and observed that when concentration of the $\ce{HNO3}$ and $\ce{H2SO4}$ with benzene ($\ce{C6H6}$) or its derivative varied the product changed. I did not perform any ...