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### Single electron systems
> I believe that particularly high values of n[V] are unlikely because as you pack more and more electrons in the same region, their repulsion would start to overpower their attraction to the nuclei, meaning the electron density would likely spread out more.
The main constraint on high... |
### Single electron systems
> I believe that particularly high values of n[V] are unlikely because as you pack more and more electrons in the same region, their repulsion would start to overpower their attraction to the nuclei, meaning the electron density would likely spread out more.
The main constraint on high... |
I don't know if there would actually be oxygen and nitrogen snow. I would think under those circumstances, there might be carbon dioxide snow, but the rest of the atmosphere would probably liquify first, there may be oxygen and nitrogen rain with some hail or sleet, but snow? Not sure it would happen.
If it did, ox... |
I don't know if there would actually be oxygen and nitrogen snow. I would think under those circumstances, there might be carbon dioxide snow, but the rest of the atmosphere would probably liquify first, there may be oxygen and nitrogen rain with some hail or sleet, but snow? Not sure it would happen.
If it did, ox... |
Specifically for the primary carbon atom in the alcohol. Here is bond dissociation energy (BDE) data from this [book][1]:
- **H-CH2**OH (methanol): 401.92 +- 0.63 kJ/mol
- **H-CH2**CH2OH (n-ethanol): 410.0 +- 8.4 kJ/mol
- **H-CH2**CH2CH2OH (n-propanol): 406.3 +- 8.4 kJ/mol
**What I've tried so far:**
Man... |
Why does the C-H bond dissociation energy vary in a homologous series of primary alcohols? |
What is a reasonable procedure to extract the orange essential oil from the rinds? I thought this would be a common experiment.
Here's what [Wikipedia](https://en.wikipedia.org/wiki/Orange_oil) had to say, they identify the essential oil as mostly [D-limonene](https://en.wikipedia.org/wiki/Limonene) (it's an isome... |
How to extract limonene from the orange peels? |
That is because the solution to the structure isn't done just via the plate. The signal you see on the plate is what is called "structure factors" of the experiment. They are associated with the fourier transform of the electron density. There are computational ways of obtaining the electron densiy once you have the st... |
So I saw in some internet site that SeS2 is a POLAR molecule, when I drew the Lewis structure of the molecule it showed up as a linear molecule like this: S=Se=S
The electronegativity difference of Se - S it's just 0.01 and the linear form shows that vectors cancel each other.
YET, some websites state that this ... |
Is SeS2 polar or non polar? |
Specifically, for the primary carbon atom in the alcohol. Here is bond dissociation energy (BDE) data from chapter three of Luo's *Comprehensive handbook of chemical bond energies* \[1\] (**boldface** refers to dissociated atom):
$$
\begin{array}{llc}
\hline
\text{Compound} & \text{The broken bonds} & \mathrm{BDE... |
Why does the C−H bond dissociation energy vary in a homologous series of primary alcohols? |
The expected pattern for ionization potential is
$$\ce{Cu} > \ce{Ag} > \ce{Au},$$
but the observed patter or experimental value is
$$\ce{Au} > \ce{Cu} > \ce{Ag}.$$
What could be a justification for this?
The simple way to look upon is a general increase in size which fails here. So, I suspect introduct... |
What explains the trend of ionization potential in coinage metals? |
Specifically, for the primary carbon atom in the alcohol. Here is bond dissociation energy (BDE) data from chapter three of Luo's *Comprehensive handbook of chemical bond energies* \[1\] (**boldface** refers to dissociated atom):
$$
\begin{array}{llc}
\hline
\text{Compound} & \text{The broken bonds} & \mathrm{BDE... |
The question may be asked poorly, but the components of the question are right. When doing an experiment in the laboratory with copper, dilute nitric acid and finally hydrochloric acid, the first reaction between copper and dilute nitric acid should end in nitric monoxide, cupric nitrate and water, but somehow nitric d... |
Can nitrous dioxide develop when copper and dilute nitric acid react? |
I was recently studying coordination compounds and i came across optical isomerism shown by complexes.I know that the complex i gave above have 3 geometrical isomers,but among those three geometrical isomers,how many of them are optically active?.According to what i studied only one of the three geometrical isomers sho... |
Which are the optical isomers(& Geometrical isomers) of the complex [Cr(NH3)2Cl2(en)]+?Is it one or two? |
I was recently studying coordination compounds and i came across optical isomerism shown by complexes.I think that the complex i gave above have 4 geometrical isomers(I think this is where I am wrong, that it only has three geometrical isomers),but among those four geometrical isomers,how many of them are optically act... |
Which are the Geometrical isomers of the complex [Cr(NH3)2Cl2(en)]+?Is it one or two? |
The expected pattern for ionization potential is
$$\ce{Cu} > \ce{Ag} > \ce{Au},$$
but the observed patter or experimental value is
$$\ce{Au} > \ce{Cu} > \ce{Ag}.$$
What could be a justification for this?
The simple way to look upon is a general increase in size which fails here. So, I suspect introduct... |
So I saw in some internet site that $\ce{SeS2}$ is a polar molecule. When I drew the Lewis structure of the molecule, it showed up as a linear molecule like this:
$$\ce{S=Se=S}$$
The electronegativity difference of $\ce{Se-S}$ is just $0.01$ and the linear form shows that vectors cancel each other. Yet, some web... |
Is selenium disulfide polar or non-polar? |
>1) For what condition do the equations [1] and [2] apply? I think that [2] is for strong electrolytes at low concentration though im not sure. So what about at high concentrations of strong electrolytes? What about weak electrolytes? 2) When would you use equation [1], when would you use equation [2]? Are they equiv... |
On Pg. 150 of Campbell’s Biology, on Concept 8.2, problem #3, the question is
>>“Some partygoers wear glow-in-the-dark necklaces that start glowing once they are “activated” by snapping the necklace. This allows two chemicals to react and emit light in the form of chemiluminescence. Is the reaction exergonic or ende... |
### Single electron systems
> I believe that particularly high values of n[V] are unlikely because as you pack more and more electrons in the same region, their repulsion would start to overpower their attraction to the nuclei, meaning the electron density would likely spread out more.
The main constraint on high... |
how r u? :)
I'd like to ask for some help for this excercise:
So I have this question that says.
Order the following ionic compounds in decreasing order according to their ease to dissolve in water.
a) NaBr b) KI c) NaF d) NaCl
So, according to what I researched the solubility for each one of these compo... |
Ionic compound water solubility? |
### Problem
Problem 3, concept check 8.2 from *Campbell Biology* \[1, p. 150\]:
> Some partygoers wear glow-in-the-dark necklaces that start glowing once they are “activated” by snapping the necklace. This allows two chemicals to react and emit light in the form of chemiluminescence. Is the reaction exergonic or ... |
I don't know if there would actually be oxygen and nitrogen snow. I would think under those circumstances, there might be carbon dioxide snow, but the rest of the atmosphere would probably liquify first, there may be oxygen and nitrogen rain with some hail or sleet, but snow? Not sure it would happen.
If it did, ox... |
I don't know if there would actually be oxygen and nitrogen snow. I would think under those circumstances, there might be carbon dioxide snow, but the rest of the atmosphere would probably liquify first, there may be oxygen and nitrogen rain with some hail or sleet, but snow? Not sure it would happen.
If it did, ox... |
> Order the following ionic compounds in decreasing order according to their ease to dissolve in water.
>
> **a**) NaBr; **b**) KI; **c**) NaF; **d**) NaCl.
>
> 1) **d** > **a** > **b** > **c**
> 2) **a** > **b** > **c** > **d**
> 3) **b** > **c** > **d** > **a**
> 4) **c** > **d** > **a** > **b**
So, accordi... |
How one calls temporal changes of chemical content due to nuclear reactions? |
I'm stuck with the next exercise.
What is the electrode potential (against NHE) in the solution prepared by adding 90 mL of $\ce{ KI }$ 5.0 M to 10 mL of $H2O2$ 0.10 M, with a buffer at pH 2.0?
First I wrote the reduction half-reactions
$$ \ce {I2(s) +2e- ->2I-} $$
$$ \ce {H2O2 +2H+ +2e- ->2H2O} $$
then... |
I am currently reading chapter 26 of Clayden's Organic Chemistry, and a diagram for the elementary steps of the Claisen condensation with ethyl acetate in ethoxide is provided. It is obvious why the *net reaction* is favorable. The 1,3-dicarbonyl compound has a pKa of ~10 while the pKa of ethanol is 16 (so the more aci... |
Why does equilibrium for the addition of the Claisen enolate to an ester not favor the product? |
The cited reaction of Copper metal and dilute Nitric acid has long known to produce ${NO}$ gas, although the precise reaction mechanism remains complex.
The mechanics, in my opinion, could involve a REDOX pathway with, for example, ${NO2}$ as a radical product in the case of concentrated Nitric acid proceeding, in ... |
The cited reaction of Copper metal and dilute Nitric acid has long known to produce ${NO}$ gas, although the precise reaction mechanism remains complex.
The mechanics, in my opinion, could involve a REDOX pathway with, for example, ${NO2}$ as a radical product in the case of concentrated Nitric acid proceeding, in ... |
The cited reaction of Copper metal and dilute Nitric acid has long known to produce ${NO}$ gas, although the precise reaction mechanism remains complex.
The mechanics, in my opinion, likely involves a REDOX pathway with, for example, ${NO2}$ as a radical product in the case of concentrated Nitric acid proceeding, i... |
The cited reaction of Copper metal and dilute Nitric acid has long known to produce ${NO}$ gas, although the precise reaction mechanism remains complex.
The mechanics, in my opinion, likely involves a REDOX pathway with, for example, ${NO2}$ as a radical product in the case of concentrated Nitric acid proceeding, i... |
The cited reaction of Copper metal and dilute Nitric acid has long known to produce ${NO}$ gas, although the precise reaction [mechanism remains complex](https://en.wikipedia.org/wiki/Dinitrogen_tetroxide).
The mechanics, in my opinion, likely involves a REDOX pathway with, for example, ${NO2}$ as a radical product... |
Is there an actual specific heat for aluminum in its gaseous state? |
Specifically, for the primary carbon atom in the alcohol. Here is bond dissociation energy (BDE) data from chapter three of Luo's *Comprehensive handbook of chemical bond energies* \[1\] (**boldface** refers to dissociated atom):
$$
\begin{array}{llc}
\hline
\text{Compound} & \text{The broken bonds} & \mathrm{BDE... |
The cited reaction of Copper metal and dilute Nitric acid has long known to produce ${NO}$ gas, although the precise reaction [mechanism remains complex](https://en.wikipedia.org/wiki/Dinitrogen_tetroxide).
The mechanics, in my opinion, likely involves a REDOX pathway with, for example, ${NO2}$ as a radical product... |
The cited reaction of Copper metal and dilute Nitric acid has long known to produce ${NO}$ gas, although the precise reaction [mechanism remains complex](https://en.wikipedia.org/wiki/Dinitrogen_tetroxide).
The mechanics, in my opinion, likely involves a REDOX pathway with, for example, ${NO2}$ as a radical product... |
The cited reaction of Copper metal and dilute Nitric acid has long known to produce ${NO}$ gas, although the precise reaction [mechanism remains complex](https://en.wikipedia.org/wiki/Dinitrogen_tetroxide).
The mechanics, in my opinion, likely involves a REDOX pathway with, for example, ${NO2}$ as a radical product... |
The cited reaction of Copper metal and dilute Nitric acid has long known to produce ${NO}$ gas, although the precise reaction [mechanism remains complex](https://en.wikipedia.org/wiki/Dinitrogen_tetroxide).
The mechanics, in my opinion, likely involves a REDOX pathway with, for example, ${NO2}$ as a radical product... |
The cited reaction of Copper metal and dilute Nitric acid has long known to produce ${NO}$ gas, although the precise reaction [mechanism remains complex](https://en.wikipedia.org/wiki/Dinitrogen_tetroxide).
The mechanics, in my opinion, likely involves a REDOX pathway with, for example, ${NO2}$ as a radical product... |
I am teaching my students how to write the electronic configuration of the elements of the periodic table.
For example, following the rules on how to fill the orbitals, the electronic configuration of iron is
$$\ce{Fe}:~\mathrm{(1s)^2(2s)^2(2p)^6(3s)^2(3p)^6(4s)^2(3d)^6}.$$
Thus, its abbreviated form is
$$... |
I have been looking at this diagram from quite some time, I know the 18 pi electron cycle that forms porphin(e) is definitely planar but what about the whole molecule?... The Nitrogen's act as a polydentate ligand with a metal complex so that may be a reason that the whole molecule may not be planar..
Can someone elab... |
Is Porphyrin Planar? |
The cited reaction of Copper metal and dilute Nitric acid has long known to produce ${NO}$ gas, although the precise reaction [mechanism remains complex](https://en.wikipedia.org/wiki/Dinitrogen_tetroxide).
The mechanics, in my opinion, likely involves a REDOX pathway with, for example, ${NO2}$ as a radical product... |
The cited reaction of Copper metal and dilute Nitric acid has long known to produce ${NO}$ gas, although the precise reaction [mechanism remains complex](https://en.wikipedia.org/wiki/Dinitrogen_tetroxide).
The mechanics, in my opinion, likely involves a REDOX pathway with, for example, ${NO2}$ as a radical product... |
I am a newbie to "Gaussian" and just generated an input for the geometry optimization for some molecules with multi ring system. However, in the article that was a reference for those calculations, some of the dihedral angles were freezed, so I did the same with adding the needed dihedrals to constrain with lines D X X... |
Do changing opt=modredundant to opt in "Gaussian" makes geometry optimization not to take into account frozen angles? |
I am a newbie to Gaussian and just generated an input for the geometry optimization for some molecules with multi ring system. However, in the article that was a reference for those calculations, some of the dihedral angles were freezed, so I did the same with adding the needed dihedrals to constrain with lines `D X X ... |
Do changing opt=modredundant to opt in Gaussian makes geometry optimization not to take into account frozen angles? |
I don't know if there would actually be oxygen and nitrogen snow. I would think under those circumstances, there might be carbon dioxide snow, but the rest of the atmosphere would probably liquify first, there may be oxygen and nitrogen rain with some hail or sleet, but snow? Not sure it would happen.
If it did, ox... |
I am a newbie to Gaussian and just generated an input for the geometry optimization for some molecules with multi ring system. However, in the article that was a reference for those calculations, some of the dihedral angles were freezed, so I did the same with adding the needed dihedrals to constrain with lines `D X X ... |
I recently stumbled upon a pretty interesting chemical: tetraxenonogold (AuXe4,2+; basically an atom of gold with four xenones around), and I cannot find its application. It is a product of a superacid reaction, it is interesting because both gold and xenone are quite inert atoms; nevertheless, this is pretty much all.... |
I recently stumbled upon a pretty interesting chemical: tetraxenonogold(II) $\ce{AuXe4^2+}.$ Basically, an atom of gold with four xenons around. It is a product of a superacid reaction and it is interesting because both gold and xenon are quite inert elements.
What could be the application of such a molecule? It rem... |
What are the applications of tetraxenonogold(II)? |
I'm currently preparing a few slides for an upcoming talk in our group. I would like to mention some of the very basics regarding crystal field and ligand field theory as well, though this will not be the main topic of the talk.
I started from allowed transitions and how the (transition) dipole moment operator caus... |
Tetrahedral complex and vibronic coupling or different rule for d-d transition? |
I have been recently studying electrochemistry and I came across the electrochemical series. A question was asked saying what will happen if a copper spoon is used to stir an aluminium nitrate solution,the answer was no reaction will take place as Aluminium is more stable in its ionic form and copper cannot reduce alum... |
Why can't nitrate ion in aluminium nitrate solution oxidise copper when a copper spoon is used to stir the solution? |
I'm struggling to name this compound shown below:
[![structural formula of compound][1]][1]
I'll post my chain of thought here so it can be corrected!
- longest chain is marked as below:
[![structural formula of compound with potential longest carbon chain marked][2]][2]
- this is because the functiona... |
I want to know what are some useful and practical resources to learn the formalism of second quantization as it pertains to fermions to be used in solving Quantum Chemistry problems. I am particularly asking for resources that go beyond the symbolic formalism and have guides/examples on how to implement the second quan... |
I've seen some EPR experiments where they add gelatin to water with spin-probes in it, as it "hardens" it immobilizes the spin-probes so that you can check effect of tumbling rate on the EPR. Cool
I would like to do the same with asphaltene in crude oil.... So I'm looking for a chemical that I can add to oil that wi... |
How to turn oil into in a gel? |
carbon properties
Can carbon in the form of graphite melt or even boil? Under what experimental conditions? I ask this question because I found in a very serious book (Tables CRM Commission romande de chimie) information that I do not understand:
sublimation at 3650 ° C
boiling at 4827 ° C
But if the carbon sublima... |
The following excerpt is taken from [1] (with a few rewording, emphasizes are mine).
> In an attempt to construct molecular orbital (MO) of any molecule, one needs to determine the **symmetries of possible symmetry-adapted linear combinations (SALCs)** that are formed from pendant-atom atomic orbitals. This prequisite... |
Is there a better coordinate framework and symmetry operator for constructing molecular orbitals of molecules with higher-order geometry? |
Can carbon in the form of graphite melt or even boil? Under what experimental conditions? I ask this question because I found in a very serious book (Tables CRM Commission romande de chimie) information that I do not understand:
* sublimation at 3650 ° C
* boiling at 4827 ° C
But if the carbon sublimates at 3650... |
The following excerpt is taken from [1] (with a few rewording, emphasizes are mine).
> In an attempt to construct molecular orbital (MO) of any molecule, one needs to determine the **symmetries of possible symmetry-adapted linear combinations (SALCs)** that are formed from pendant-atom atomic orbitals. This prequisite... |
In the [RNA world hypothesis][1], it has been argued that RNA is made of 4 nucleotides and it can act as a template to create another copy of itself.
And it's been claimed that we only have 5 nucleotides, 4 of which is used in RNA.
And I also searched and realized that a Nucleotide is made of a phosphate groul, a... |
How many possible nucleotide types can be created? |
I am reading this article [The use of basis splines and non-orthogonal orbitals in R-matrix calculations: Application to Li photoionization][1]
At some point they span a wave function $\Psi_{E}$ in terms of *energy independent basis*
$\Psi_{E}=\sum_{k} A_{E k} \Psi_{k}$
Here for example [The Structures of Bi... |
What is the definition of energy independent basis? |
I am reading this article by Zatsarinny and Fischer \[[1](https://doi.org/10.1088/0953-4075/33/3/303)\].
At some point they span a wave function $\Psi_{E}$ in terms of *energy independent basis*
$$\Psi_{E}=\sum_{k} A_{E k} \Psi_{k}$$
For example, *The Structures of Binary Compounds* mentions that LCAO is an en... |
What is the definition of energy-independent basis? |
First, an observation that Aluminum nitrate is the product of a weak base and a strong acid. As such, expect the aqueous $\ce{Al(NO3)3}$ salt solution to be but [mildly acidic](https://www.youtube.com/watch?v=5k6_jx85nzc).
Now, if the copper metal is fully immersed in a mildly acidic salt solution with no other fac... |
First, an observation that Aluminum nitrate is the product of a weak base and a strong acid. As such, expect the aqueous $\ce{Al(NO3)3}$ salt solution to be but [mildly acidic](https://www.youtube.com/watch?v=5k6_jx85nzc).
Now, if the copper metal is fully immersed in a mildly acidic salt solution with no other fac... |
## meth vs eth
> [OP] Why is '-ethane' in 'methane'?
This is a coincidence.
Methyl is
>ultimately from Greek methy "wine" + hylē "wood.
Source: https://www.etymonline.com.
The terminology was created by Dumas and Péligot in 1834 to distinguish wood alcohol from ethanol, and was published first in the... |
I recently learned about the Stork enamine alkylation method of adding electrophiles to the beta carboxyl position on a molecule. But I can't seem to find out why a direct synthesis is not possible (or perhaps favoured).
I've used an online resource to draw a mechanism that I thought would work, but clearly because... |
Why use Stork enamine alkylation? |
I'm trying to install Molden in a MACOS Bigsurf.
The steps that I followed:
0. Install the compilers, gfortran,libraries, etc.
1. extract the source from molden page.
2. open the molden5.8 directory and from terminal run "make all".
But, in step 2 I get the following message:
Error: Type mismatc... |
[This Reddit comment](https://old.reddit.com/r/cars/comments/jww7dp/electricvehicle_startups_are_wall_streets_hot_new/gcu5zwn/) contends
>There was 870 tons of lithium mined in 2019 in the US. That enough for under 20,000 cars, assuming you're using ~50 kg per car. So that would be 40,000 in 2023, assuming all of it... |
How many electric vehicles can our current supply of lithium power? |
In order for a molecule to be Raman active, there must be a change in the polarizability, meaning that there must be change in the size, shape or orientation of the electron cloud that surrounds the molecule. And this change said to occur in symmetric stretching, but not asymmetric stretching.
Please explain using p... |
Why No Change in Polarizability in Asymmetric Molecule? |
I have studied the expression for work done for a chemical reaction which is basically $W=-\Delta n_{g}RT$. Along with this, the assumption that has been made is that chemical reactions take place at constant pressure and temperature.
*Is this always the case? What would the general expression for work done look li... |
The Chemcraft website says that it is possible to create a potential energy surface. Nevertheless, it doesn't work for my Gaussian scan job.
```
%chk=propylcyclohexan_scan_30.chk
#p GFINPUT POP(FULL) PM6 Opt=modredundant
propylcyclohexan_scan_30
0 1
C -2.32729 0.36923 -0.26826
C ... |
How to create a Potential Energy Surface in Chemcraft? |
I don't want to simply replace one hazardous chemical with another. The bleach is stubbornly clinging to my shower walls and I feel its effects every time I take a shower.
Ascorbic acid seems like the most natural solution to me, since it's a regular part of our diet. **Online sources recommend ascorbic acid "but yo... |
I don't want to simply replace one hazardous chemical with another. The bleach is stubbornly clinging to my shower walls and I feel its effects every time I take a shower.
Ascorbic acid seems like the most natural solution to me, since it's a regular part of our diet. **Online sources recommend ascorbic acid "but yo... |
How to synthesize the following aldehyde? |
First I want to point out that I am not a chemist, sorry for bad description.
I have CO2 incubator. CO2 concentration is 10-20% and the humidity level is around 90%. I was using a humidity sensor to measure humidity and some kind of transparent substance have formed around the sensor. Sensor becomes unprecise and ha... |
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