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Imaging the Molecular Orbitals of Pentacene

eparker05 writes "Researchers at University of Liverpool have used a scanning tunneling microscope to image the aromatic molecule pentacene (Abstract). Not unexpectedly, the resulting images showed an astonishingly close correlation to the theoretically predicted molecular orbitals. This incredible set of images reminds me of the group that imaged a single carbon atom in 2009."

47 of 70 comments (clear)

  1. Re:Oxidizers == Death by el_jake · · Score: 2

    Okay, i'll stop breathing then...

    --
    In order to form an immaculate member of a flock of sheep one must, above all, be a sheep.
  2. Re:Oxidizers == Death by GameboyRMH · · Score: 2

    There are a few of your posts that are so over-the-top ridiculous, including this one, that they reveal you're actually a very dedicated troll and not a real chiropractic voodoo doctor who actually believes this stuff.

    Not to discourage you, I find this hilarious, keep it up XD

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    "When information is power, privacy is freedom" - Jah-Wren Ryel
  3. Re:Oxidizers == Death by interkin3tic · · Score: 2, Funny

    The big message: AVOID ALL OXIDIZING MATERIALS! If you cannot and must work around it, be SURE to visit a reputable Chiropractor and explain that you work around oxidizers. The Doctor will be able to focus his treatments accordingly.

    Fact: Chiropractors are funded by the shadowy oxidizing lobby. When they give you an expensive massage, doing nothing to treat your ailments, they are secretly rubbing in oxidizing agents.

  4. Re:Oxidizers == Death by el_jake · · Score: 2

    What you actually write between the lines is that you skipped chem classes and confused muscular science with nutrition...

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    In order to form an immaculate member of a flock of sheep one must, above all, be a sheep.
  5. real imaginary numbers by condition-label-red · · Score: 2

    Did anyone else notice that the article with the images has an incorrect definition of imaginary numbers (i.e. says i=sqrt(1) instead of i=sqrt(-1) ).

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    1. Re:real imaginary numbers by ericloewe · · Score: 1

      They're keepin' it a bit too real

    2. Re:real imaginary numbers by Bob+the+Super+Hamste · · Score: 1

      Why would you RTFA. When you read it you always get let down.

      I noticed that as well. I mostly wanted to look at the pictures and wonder why the model images have such nice right angles as I would have thought they would been more similar to the actual pictures. Then again I am a software guy, not a physics or nanotech guy.

      --
      Time to offend someone
    3. Re:real imaginary numbers by Amouth · · Score: 1

      you are thinking of i they are using i

      --
      '...if only "Jumping to a Conclusion" was an event in the Olympics.'
  6. Re:Oxidizers == Death by GameboyRMH · · Score: 1

    I feel the need to post this here. Minutes ago I received this email from Dr. Bob himself:

    Sorry for writing you like this but I cannot post any more replies (thanks to all the voting down of my posts by the Big Pharmacy shills)

    I'd like to let you know that I'm completely serious. If you'd like to follow me on FaceBook, I'm at:
    http://www.facebook.com/profile.php?id=100002475387056

    We offer advice for patients and others interested in their health.

    Either this guy is real or he is the best troll in Internet history. Even if he is a troll, I think this performance deserves a serious reply, so I will send him this:

    If this is true then why do you post on Slashdot? You do realize that site is caters to and is full of people who are...extremely skeptical of the basis of your profession, to put it mildly. You've become a laughing stock to most users there.

    Can't wait to see his reply.

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    "When information is power, privacy is freedom" - Jah-Wren Ryel
  7. Electron Density by Anonymous Coward · · Score: 1

    These methods do not image orbitals themselves - it is generally regarded as impossible to do this. These instead image electron density, which is separate but related (square of the wavefunction)

    1. Re:Electron Density by eparker05 · · Score: 2

      True, but the shape of the isodensity surface is so closely related (the square of the wave function) that imaging one can pretty much validate the other. Also, while in the journal article they show the MO, the actual comparison between the image and MO theory is on the basis of electron density.

    2. Re:Electron Density by scheme · · Score: 1

      According to the article, they actually do image the orbitals because they're looking at the interaction of the orbitals of CO and the target orbitals. This way they can calculate phase information and get the actual orbitals themselves instead of just electron density.

      --
      "When you sit with a nice girl for two hours, it seems like two minutes. When you sit on a hot stove for two minutes, it
  8. Re:Oxidizers == Death by Samantha+Wright · · Score: 1

    Trivia time for anyone who's never taken organic chemistry: What's the opposite of oxidation and why do they have such obscure names?

    First correct answer wins a free olfactory impression of CmdrTaco's old foof chair.

    --
    Bio questions? Ask me to start a Q&A journal. Computer analogies available for most topics!
  9. Re:Oxidizers == Death by JonySuede · · Score: 1

    what about good old bleach ?
    Strongest oxidizing agent in my home, man made but useful as hell for sanitation... It helped saved the western civilization from cholera in the 18th century....

    --
    Jehovah be praised, Oracle was not selected
  10. Re:Oxidizers == Death by NatasRevol · · Score: 1

    Chiropractic medicine?

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    There are two types of people in the world: Those who crave closure
  11. Re:Oxidizers == Death by TrisexualPuppy · · Score: 1

    Reduction. This was taught in my HS chemistry courses.

  12. Re:Oxidizers == Death by Samantha+Wright · · Score: 1

    I'm sorry, that's incorrect! You'll have to try harder if you want a whiff of Slashdot history!

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  13. Re:Oxidizers == Death by GameboyRMH · · Score: 1

    Oh! Oh! Here it is:

    Thank you for replying, that demonstrates an open mind!

    I post as I've been a 'tech lover' for a while and am always looking at ways to use technology in the best and safest means to help my patients. I've had some people from here "Friend" me on FaceBook, in fact someone bought me a Subscription to the blog. I posted about it in my Slashdot Journal.

    If just one person takes my advice and helps their health it's all been worth it. And I have a thick skin, I've been called all sorts of horrible things. :)

    Now I'm thinking he's a real chiropractic guy who honestly believes this stuff. I feel a little bad about hurting his feelings. But if he is a troll, he must be rolling on the ground and pissing himself right now. And he would deserve those lulz. But he's really swaying me back towards thinking he's not a troll.

    He later pointed out that it is bad Internet etiquette to post private emails. Well yes, but I did at least make sure nothing personal was in there, but Internet etiquette goes right out the window out in these here parts, sorry. If this was 4chan he'd be getting death threats over the phone and his children would be getting pics of strange men's penises in their email by now, so, consider it a lesson.

    --
    "When information is power, privacy is freedom" - Jah-Wren Ryel
  14. Re:Oxidizers == Death by NatasRevol · · Score: 1

    Chiropractic quackery?

    --
    There are two types of people in the world: Those who crave closure
  15. Re:Oxidizers == Death by Anonymous Coward · · Score: 1

    You're loosing your touch. Many of your earlier posts sounded like something you might actually believe. However this one is far to insane.

    Yrore trying to hard to use the word "Frankenstein molecule" for one, and also talking about subluxation as if they are a physical thing " wrapped around nerves, almost like cancers" while also claiming they can't be removed and studied.

    What happened to you Bob? you used to be cool.

  16. Re:Oxidizers == Death by black+soap · · Score: 1

    So, you are against hydrocarbons in general, and that leads you to a rant against oxidizers? Are there any chemical compounds you endorse, or does exposure to anything at all require a quick trip to the chiropractist?

  17. Re:Old hat by black+soap · · Score: 1

    Was that imaging the molecule, or the electron orbitals? There is a difference.

  18. Re:Oxidizers == Death by Samantha+Wright · · Score: 1

    Keep trying! You're only one answer away from an experience your nostrils will never forget!

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  19. Measured cloud is "fuzzier" by GodfatherofSoul · · Score: 1

    Does that mean there's some slight difference from the theoretical model or just an artifact of how the cloud was imaged?

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    1. Re:Measured cloud is "fuzzier" by mapkinase · · Score: 1

      Looks like I am the only one who is not impressed by the comparison pictures. Pictures basically match in "shape", but not exactly in density distribution.

      It seems to me that it's not very difficult to figure out the shape, that is where the minimums and maximums are without any computations.

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  20. Re:Oxidizers == Death by Samantha+Wright · · Score: 1

    Bingo. The terms come from smelting, where most ores came in oxides, and had to be reduced to their oxygenless forms. Most people start glazing over when you explain what they actually mean.

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  21. Re:Oxidizers == Death by NatasRevol · · Score: 1

    Come on!

    Homeopathy?

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    There are two types of people in the world: Those who crave closure
  22. Atomic and Electronic Structure by structural_biologist · · Score: 1

    The same group of researchers published a paper in 2009 in the journal Science using a technique called atomic force microscopy (AFM) rather than the scanning tunneling microscopy (STM) approached used here. This technique allowed them to resolve the atomic structure of pentacene, showing the classic ring structure as one might see drawn on a chalk board in their chemistry class. Combined with their means of imaging molecular orbitals by STM, these researchers have developed some really nice tools for studying molecules. Here's the citation for the AFM paper:

    Gross et al. (2009) The Chemical Structure of a Molecule Resolved by Atomic Force Microscopy. Science, 325: 1110. doi:10.1126/science.1176210

  23. Re:Oxidizers == Death by sjames · · Score: 1

    He's super serial!

  24. Re:Oxidizers == Death by Samantha+Wright · · Score: 1

    I'm sorry, someone else already claimed the correct answer to the first part of the question, which was "reduction." We remind you that quiz show hosts rarely have worthwhile senses of humour, and encourage you to try your best at the second part.

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    Bio questions? Ask me to start a Q&A journal. Computer analogies available for most topics!
  25. Re:Oxidizers == Death by Sarten-X · · Score: 1

    ...a committed Chiropractor.

    I think all chiropractors should be committed. They're all crazy.

    --
    You do not have a moral or legal right to do absolutely anything you want.
  26. Dupe! by munozdj · · Score: 1

    I remember having seen this very same picture a year ago or so posted here... It's still in my pictures folder because it really impressed me that time. Guess it shows that chemistry isn't alchemy after all. Link to the original article

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    Democracy: Crowdsourcing a country near you
    1. Re:Dupe! by munozdj · · Score: 1

      My mistake. As always, I didn't RTFA before posting. Now I realize that they're talking about the molecuar orbitals (who would've guessed!) and not the picture taken by IBM before. It's actually pretty nice. Again, apologies.

      --
      Democracy: Crowdsourcing a country near you
  27. Re:Oxidizers == Death by NatasRevol · · Score: 1

    Ahh, I see my problem: Funny != good answer.

    --
    There are two types of people in the world: Those who crave closure
  28. Re:Oxidizers == Death by NatasRevol · · Score: 1

    My answers were still better, if less correct.

    --
    There are two types of people in the world: Those who crave closure
  29. Re:Oxidizers == Death by Sulphur · · Score: 1

    You're loosing your touch. Many of your earlier posts sounded like something you might actually believe. However this one is far to insane.

    Yrore trying to hard to use the word "Frankenstein molecule" for one, and also talking about subluxation as if they are a physical thing " wrapped around nerves, almost like cancers" while also claiming they can't be removed and studied.

    What happened to you Bob? you used to be cool.

    Global uncooling.

  30. Re:Oxidizers == Death by SleazyRidr · · Score: 1

    OIL RIG FTW!

  31. Re:Oxidizers == Death by Samantha+Wright · · Score: 1

    Only on Slashdot.

    ...seriously, I've tried it on 4chan and they totally miss it.

    --
    Bio questions? Ask me to start a Q&A journal. Computer analogies available for most topics!
  32. Re:Old hat by TeethWhitener · · Score: 4, Informative

    The only thing that is new about this article is a slightly different flavor of STM

    Now that's just plain wrong. First off, the pentacene molecule imaged by the group at IBM was imaged using atomic force microscopy (AFM), which uses a nanoscale piezoelectric cantilever to measure the force between the tip of the microscope and the substrate. The IBM team realized that picking up a single CO molecule with the tip allowed them to have an atomically sharp tip, thus giving them the drastically increased resolution apparent in that paper. This paper presents an STM method, which uses the current caused by electron tunneling between a tip and substrate (which dies off exponentially with distance between the two). The major breakthrough is this: scientists working in this field have known for quite some time that the electron tunneling was a function of both the starting state (tip state) and the ending state (substrate) of the electron. The problem with this is that the tip state up until now has only been known very vaguely. At the atomic level, the tip of the STM is in general a poorly defined blob of metal. What the researchers in this paper have done is pick up a CO molecule to act as the tip of the probe, just like the researchers on the pentacene paper before. The advantage now is that we can model CO quite well quantum mechanically, so that we have a much better idea of the starting state of the electrons. Of course, there will be some interaction of the CO with the metal in the tip, but nonetheless, this method provides us with a much clearer picture of what the electrons are actually doing when they tunnel from the tip to the substrate below. This is the reason that the researchers were able to get so much more information out of these experiments than previous researchers. /rant

  33. Re:Old hat by MagusSlurpy · · Score: 1

    It's actually the same group from IBM, expanding upon their earlier work.

    --
    My sister opened a computer store in Hawaii. She sells C shells by the seashore.
  34. Re:Oxidizers == Death by mangu · · Score: 1

    Tell him to go to Reddit. He could start posting in http://www.reddit.com/r/chiropractic

  35. Difference between theory and practise. by rew · · Score: 1

    Of course some differences between theory and practice can be expected. For example, some experimental noise is expected. And at these scales, some fuzziness is also weird if it wouldn't happen.

    However the topology should be correct. Now in the top image on the right there is a "white" area at the top. Whereas on the left (the real data) the white area at the top has a dent in it. As if there is a black area on the top with two white areas on the corners.

    In short: From this experiment I'd say: The theoretical model is seriously flawed.

    1. Re:Difference between theory and practise. by cnettel · · Score: 1

      I think there is a dent even in the simulated one. Remember that these 2D visualizations are only representations of the 3D densities. Where you put your cutoff for surfaces, or in this case, where you put the steepest slope in your grayscale definition, can influence the perceived shape a lot more than what is actually the case.

  36. Isn't that by jimmydevice · · Score: 1

    The square root of -1?

  37. Obligatory by frenchbedroom · · Score: 1

    Science : it works, bitches.

  38. Re:Oxidizers == Death by GameboyRMH · · Score: 1
    --
    "When information is power, privacy is freedom" - Jah-Wren Ryel
  39. Re:Oxidizers == Death by FredFredrickson · · Score: 1

    Global uncooling.

    That's just a myth. The evidence was faked. The earth has always gone through these cycles. What was once Cool will be Retro cool soon in the future.

    Buy my book: Hipster Science

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