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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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 ...
36 votes
1 answer
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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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24 votes
2 answers
2k 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 ...
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41 votes
4 answers
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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 ...
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23 votes
3 answers
806 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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8 votes
5 answers
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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, ...
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22 votes
3 answers
6k 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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24 votes
1 answer
3k 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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20 votes
5 answers
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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, ...
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9 votes
1 answer
2k 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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13 votes
4 answers
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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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18 votes
3 answers
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Modern open-source tools for simulation of NMR spectra

I am interested in predicting the NMR spectrum of small organic compounds. It doesn't matter to me if the prediction is very accurate. I'll eventually be comparing the prediction to experimental ...
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10 votes
4 answers
15k views

Reason for the formation of azeotropes

Why is it that some liquid mixtures (that exhibit positive/negative deviation from Raoult's law) form azeotropic mixtures at certain compositions? What is the physical reason behind this; are there ...
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7 votes
1 answer
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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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13 votes
1 answer
267 views

Newer ionic radii data than Shannon's 1976 compilation?

Shannon, R. D., 1976, Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides: Acta Crystallographica Section A, v. 32, p. 751–767. DOI: 10.1107/...
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11 votes
1 answer
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What substance has the lowest solubility product?

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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6 votes
2 answers
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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 ...
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17 votes
1 answer
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How can benzaldehyde have a pKa of 14.9?

There are numerous websites out there which claim that the pKa of benzaldehyde – C6H5CHO – is 14.90. (Just do a Google search for benzaldehyde pka to see what I ...
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18 votes
5 answers
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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 ...
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5 votes
1 answer
179 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 ...
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5 votes
2 answers
525 views

What is the chemical composition of Ferrous Ferrocyanide?

To this day, iron-cyanide complexes confuses me. So, I want to settle this once and for all. After scavenging the internet, I gathered the following result: $$ \ce{Ferr} \color{blue}{\ce{ous}}~\ce{...
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4 votes
3 answers
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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 ...
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4 votes
1 answer
899 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", ...
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10 votes
5 answers
2k 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 ...
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6 votes
1 answer
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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 ...
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40 votes
3 answers
2k views

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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21 votes
1 answer
562 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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11 votes
3 answers
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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 ...
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11 votes
1 answer
798 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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3 votes
1 answer
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 ...
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1 vote
1 answer
326 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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19 votes
2 answers
8k views

What is the least dense liquid under normal conditions?

What is the least dense liquid under normal conditions, room temperature, one atmosphere of pressure, doesn't combust upon contact with air, also wouldn't kill a human just for being in the same room ...
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9 votes
1 answer
557 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 ...
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7 votes
1 answer
689 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 ...
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3 votes
1 answer
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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 ...
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19 votes
1 answer
581 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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18 votes
3 answers
2k 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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12 votes
2 answers
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What is "chemical pressure"?

While reading some publications on solid superconductors, I encountered a term "chemical pressure" a few times, which is usually attributed to the changes of superconducting transition ...
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12 votes
3 answers
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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 as ...
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11 votes
1 answer
831 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 votes
1 answer
294 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 ...
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6 votes
1 answer
296 views

How is the vibration of multiple atoms treated in vibrational spectroscopy?

Most of the advanced undergraduate textbooks on physical chemistry/ instrumental analysis show the case of a diatomic harmonic oscillator and derive formulae for predicting the frequencies. The ...
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6 votes
1 answer
915 views

Carbohydrate configurations

I want to study several carbohydrates that includes but not limited to the following molecules: Glucose Galactose Mannose Fructose Tagatose Sorbose I know that for any carbohydrate, possible list of ...
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6 votes
2 answers
5k 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?
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4 votes
1 answer
248 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 ...
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3 votes
2 answers
1k views

Is there an online database of acid and basic dissociation constants?

Is there an online database of acid and basic dissociation constants, all in one place, free to use?
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3 votes
1 answer
1k views

Reference Request - bond lengths in PCl2F3

While writing an answer here, I needed references for bond lengths of $\ce{PF3Cl2}$ and $\ce{PF4Cl}$. The latter was easily found in reference (1), whereas I could not find exact references for bond ...
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11 votes
1 answer
816 views

Does the largest known cycloalkane contain 288 carbon atoms?

If you Google "largest known cycloalkane", you will find this result: For context, there has been discussions on "largest known alkane": Largest alkane having a given alkane as ...
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9 votes
3 answers
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 ...
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8 votes
1 answer
365 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 ...
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