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Chemists merge experimentation with theory in understanding ofwater molecule by ferujkll sdff
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Chemists merge experimentation with theory in understanding ofwater molecule by FERUJKLL SDFF
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| Article Posted: 11/27/2012 |
| Article Views: 71 |
| Articles Written: 2023 - MORE ARTICLES FROM THIS AUTHOR |
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Chemists merge experimentation with theory in understanding ofwater molecule |
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Most understanding at that level is theoretical, requiring the useof supercomputers to make innumerable calculations over periods ofweeks to make educated guesses as to the arrangements and structureof water clusters before they form into liquid water or ice. But a new study, using experimentation with a highly advancedspectrometer for molecular rotational spectroscopy, has removedsome of the mystery and validates some very complex theoryinvolving the way water molecules bond. It is published in the May18 issue of the journal Science . "We set out to determine quantitatively the structure thatsmall assemblies of water adopt, and then compare them to theory tosee how well current quantum chemistry predicts the properties ofmolecules," said Brooks Pate, a chemist in the University ofVirginia's College of Arts & Sciences who led the study."We found experimentally that modern quantum chemistry hasreached the point where its theories are proving out in the labregarding the unusual directional bonding properties of waterclusters." The properties of water, and how it interacts with itself and othermolecules, is the basis for many processes in biology, and likelyplayed a major role in the development of life on Earth. Butunderstanding how those bonds form at the molecular level has beenlargely guesswork.
"For the first time, now we have an actual physical picture ofwhat water's molecules put together look like, and it turns outthey adopt three different geometries," Pate said. "Thisis in agreement with theory." Pate and his U.Va. team identified and imaged a three-dimensionalgeometry that a water molecule takes on that is the likelyprecursor structure for forming liquid water and ice. "We found that the bonding strengths of liquid water actuallybegin to emerge even in a tiny cluster," Pate said.
"Thechallenge is figuring out how it interacts with other molecules andhow the forces between two molecules of water can be describedquantitatively, because the orientation of how the waters come ateach other makes a big difference in the binding." There are innumerable possibilities for how this happens, andtheorists, including Pate's colleague on the paper, quantum chemistGeorge Shields of Bucknell University, have been working on thedetails for years without direct validation from experiments. The difficulty has been in developing techniques that are sensitiveenough to image the tiny water molecules and how they orientthemselves when interacting with other water molecules. Thebreakthrough came earlier this year when Pate's U.Va. team used anew tool, a molecular rotational spectrometer developed during thelast two years, to make precise measurements that ultimatelyvalidated what theory has expressed. The improved sensitivity of the instrument comes from advances inhigh-speed digital electronics that provide unprecedented datathroughput in the measurement.
This core technology is beingcommercialized for applications in chemical analysis by aCharlottesville start-up venture, BrightSpec. "This will allow chemists to transfer what we've learned tolarger systems," Pate said. "We are checking to see iftheory can get right the structures of the arrangements of watermolecules so that that information can be used to see how waterinteracts in larger systems." The larger systems could include bio-molecules, such as protein inDNA, and how surrounding water molecules might interact with thosemolecules through hydrogen bonds. "It is very satisfying to see that the experimental work wedid, completely independently of theory, came together so perfectlywith the theory," Pate noted.
He said his research is the behind-the-scenes workings of chemistrythat ultimately makes up the big picture of how things cometogether at much larger scales. "You may not want to know how a bridge was designed, but yousure want to know it was done right," he said. "Likewise,if a theory is used to predict, for example, how a medicine mightwork, you ideally would want to be able to test the theory to makesure it's right before making the medicine. That would be theultimate goal -- to have theory and experimentation in sync.". I am a professional writer from Gifts & Crafts, which contains a great deal of information about wooden piggy banks , retro tin signs, welcome to visit!
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