Hi,
I am calculating the spectra of a small molecule - benzen with nitrogen group attach. I have some experimental data of the molecule IR and raman.
I use DFT B3LYP with TVZ as basis set when I compare the modes and are a lot of differences between the two.
1. Would it help to increase...
This molecule has been immortalized in a sculpture on the boardwalk of the city of Halifax, NS.
Wondering if anyone recognizes it.
I see it has a carbon backbone and a benzene ring, but I don't know much else. I'm afraid that, other than the arrangements and bonds, there's no indication...
Homework Statement
A photon of a given wavelength "lambda" collides with a hydrogen molecule that's initially at rest (photon is absorbed by H2). Assuming absorption event conserves momentum, find velocity and translational energy of H2 after the event.
Homework Equations
momentum of...
I made this subatomic particle simulator, but I haven't accurately placed the atoms in each molecule yet, you may be interested...enjoy!
http://www.winggamepak.com/stuff/atombuilder.exe
Here's a picture of it:
http://www.winggamepak.com/stuff/atombuilder.jpg
plus there are other...
Homework Statement
A space vehicle returning from the Moon enters Earth’s atmosphere at a speed of about 4.9E4 km/h. Molecules (assum nitrogen) striking the nose of the vehicle with this speed correspond to what temperature?
Homework Equations
KE=0.5mv^2=kT
k: constant
The Attempt...
Homework Statement
The covalent bond between the two protons in the H2 molecule can be modeled by a harmonic spring with a spring constant k = 1100 N/m.
a. What is the zero point energy of the H2 molecule as a harmonic oscillator?
b. What is the energy of the first excited state...
b) Calculate the matrix which represents the Hamiltonian
H= 1{(L)^2}/2I + Alpha*(L^z)
H = part A + part B
where alpha is a constant and so is I and also L^2 = Lx^2 + Ly^2 + Lz^2 (1)
heres what i have done. i have calculated L^2 From adding matrices from 1 and it...
Homework Statement
How many pi bonds are in the molecule C12H18?
Homework Equations
I have in my notes the formula (6nPi+2-total # of electrons)/2.
The Attempt at a Solution
Unfortunately I can't find an explination for this formula in the book and I don't remember what was...
Molecules are optically active when they react differently to left or right circularly polarized light. This is because they have a screw-oriented structure which is itself either left-handed or right-handed, making propagation preferential for one polarisation, rather than for the other...
For a molecule of water, I understand that there are 6 degrees of freedom for each of the three atoms within it; 3 translational and 3 due to the potential energy of the bonds. Is this at all affected when the water goes from solid to liquid or gas?
I understand that for H20 in solid form, each atom within the molecule has 6 degrees of freedom; 3 translational and 3 due to potential energy from bonds. Does the number of degrees of freedom change when water changes phase to a vapor?
Net Force in a DNA molecule??
Homework Statement
The two strands of the helix-shaped DNA molecule are held together by electrostatic forces as shown in Fig. 16-44. Assume that the net average charge (due to electron sharing) indicated on H and N atoms is 0.2e and on the indicated C and O...
Homework Statement
A water molecule is a permanent dipole with a dipole moment p = qs. There is a water molecule in the air a very short distance x from the midpoint of a long rod of length L and uniform charge +Q. The axis of the rod is perpendicular to the rod. Note that s << x << L...
Homework Statement
The question can be found on this link. It is the last question, the one with the DNA molecules. Prof said that the direction is not important, he is just looking for a magnitude.
http://www.phys.uvic.ca/medphys/people/AJ/Courses/Phys216/Assignments/P216-A1-2007.pdf...
Could someone list the similarities and differences between the two?
Is it correct to say that 'the set of all molecules' is a subset of 'the set of all compounds'. But the vice versa is incorrect. So a 'proper' should be placed in front of the word 'subset' above.
i.e. any covalently bonded...
In my thermo text, they consider a diatomic molecule that is rotating about the axis joining the two atoms (also the axis of symetry) and make a quantum argument involving the energy levels of a rigid rotator to conclude that kT<<\Delta E for this particular degree of freedom.
But isn't this...
Hi, I have a quick question. Ignoring quantum stuff, shouldn't I be able to predict the angle between the two hydrogens in a water molecule if I model the three atoms as point charges and assume that both hydrogens have a partial charge of +D and that the oxygen has a partial charge of -2D, and...
http://www.physorg.com/news75883856.html
Scientists at the SUNY Downstate Medical Center found a molecule that strengthens synaptic connections. By inhibiting this molecule, they can prevent connections from being maintained and "erase" them. They claim to have erased memories in people that...
How do you calculate the distances between atoms of a given gas molecule? The reason I am asking this is so I can find the moment of inertia of certain molecules so i can determine degrees of freedom for a gas at a certain temperature. Is there an easier way to determine them?
Only 3 statements are correct.
A.) Water is a compound and exist as molecules at rtp.
B.) Magnesium chloride is a molecule but not a compound.
C.) At rtp, nitrogen exist as diatomic molecules.
D.) Rubidium Oxide is a compound but not considered a molecule.
E.) Oxygen gas is classified as a...
Hi, I was wondering if something like H_2 is considered to be a molecule. I've read through some websites and I'm still not sure. It's been a long time since I did chemistry (although I should probably remember :biggrin: ) so any help would be good thanks.
I am having a lot of trouble understanding the following:
1) How do I determine if the shape is a trogonal planar? Is it because it would have more bonds than the tetrahedral?
2)Is figuring the polarity of a molecule only based on the electronegativity?
Please help! I have a big test...
A molecule with angular momentum L and moment of inertia I has a rotational energy E = L^2 / 2I. Since angular momentum is quantized, find the wavelength of the photons emitted in n=2 to n=1 transition of the H2 molecule. This molecule has a moment of inertia I = 0.5mr^2, where m = 938Mev/c^2...
A glycoside is a molecule where two (or more) molecules of sugar are bonded through either the keytone or aldhyde group and the anomeric carbon via an oxygen or sulphur atom. - Is this correct?
If so, does that mean that glycosides are non-reducing sugars because they are bonded through the...
http://www.medpagetoday.com/Psychiatry/Addictions/tb/2680"
Journal submission pertaining to newsarticle can be found here.
http://download.neuron.org/pdfs/0896-6273/PIIS0896627306000456.pdf"
Is there any free software for rendering pics of molecules?
I'm not looking for features or accuracy, I just want to whip together some atoms in shapes of my choosing (preferebly 3D, but I'll take what I can get). I tried PhotoShop and Illustrator, but it still takes a long time.
Raman spectroscopy is "Single molecule identification"
Hi , I heard that the speciality of Raman spectroscopy is "Single molecule identification", it'd be really great if somebody can tell me HOW! because its surely going to be a question in my exam!
Thanks in advance.
Different books seem to give different meanings to these terms although they are generally along the same lines.
One book said that an ionicly bonded atoms such as NaCl cannot be labeled as a molecure and must be called a compound.
Does this inturn mean that atoms bonded covalently cannot...
1) when trying to determine if a molecule is polar or nonpolar, how do unpaired electrons and double bonds affect it? for example, in CO3 (2-), its trigonal planar but one of the C=O bonds is a double bond...is this polar or nonpolar?
2) what do you do when you have an odd number of...
Hi, I'm trying to figure out the formula for Sucralose, but this image is so small I can't make out the type.
http://www.splendatruth.com/about_how.htm
Can you tell what it is supposed to be?
Also, are the OH groups hanging off the molecule called hydroxyls?
Thanks!
for the following question:
spectroscopic observation of molecular N2 in an electrical discharge shows that the relative numbers of molecules in excited bivrational states with energies given by (epsilon)i=(i+1/2)hv
are i 0 1 2 3
ni/n 1.00 0.25...
A group has just published the details of their new nanocar; a single molecule with buckyball wheels. It only took several years of research to build it.
Here are the specs:
http://pubs.acs.org/isubscribe/journals/nalefd/asap/figures/nl051915kf00001.html
And here's the results: the...
Hi All,
I have always been made to understand that the reason why gas expands or causes pressure build up when heated in a sealed container is that gas molecules speed up when heated. If this is correct, can someone in the know please explain what is happening at the individual molecular...
There are probably reasons I don't understand on why this is not a valid question, and may have made some incorrect assumptions, but...
If single monatomic molecule was at absolute zero then, as I understand it, it would have no kinetic energy - no motion. If heat energy were applied from a...
I am stuck in this gas problem:
You are given a 10.00 gram solid mixture of Ca(ClO_3)_2 and Ca(ClO)_2. When this mixture is heated, both componds decomplse, releasing oxygen gas and leaving behind solid CaCl_2
When this 10.00gram mixture is sealed in a 10.0-Liter evacuated vessel and heated...
Is Carbon 60 :http://www.popmath.org.uk/sculpture/pages/jmv/example2.html
the optimum volume for area of 3-D space?
There are a vast number of geometric configurations of Uniform Polyhedra:
http://www.mathconsult.ch/showroom/unipoly/list-graph.html
But in Natural Selective, or...
In a hydrogen molecule, the electron probability is the highest between the two nuclei of the hydrogen molecule. Let's say that the nuclei of the hydrogen molecule start oscillating.
When they get closer to each other, will the electron probability decrease or increase between the two nuclei?
I found the problem of the ocsillating molecule interesting as well as the electron revolving around the nucleus, in both cases there is energy loss due to radiation and eventually the molecule will stop ocsilating and the electron will be together with the nucleos. the times when this happen...
If each molecule of acetanilide produces one molecule of hydroge bromide, what volume of HBr gas should be evolved from the reaction?
So to solve this, ONE molecule of acetanlide will produce ONE molecule of hydrogen bromide...
then, the molecular weight of hydrogen bromide produced will...
In a tank full of oxygen, how many molecular diameters d (on average) does an oxygen molecule travel (at 1.00 atm and 21.0°C) before colliding with another O2 molecule? (The diameter of the O2 molecule is approximately 3.60 10-10 m.)
>> I don't know why webassign is telling me this is wrong...
In a crude model of a rotating diatomic molecule of chlorine (Cl2), the two Cl atoms are 2.00e-10 m apart and rotate about their center of mass with angular speed w = 1.40e12 rad/s. What is the rotational kinetic energy of one molecule of Cl2, which has a molar mass of 70.0 g/mol?
>> I...