As part
of an effort to improve the quality of chemical information
available to U.S. researchers,
manufacturers,
students and others, Dow Chemical Co. has donated an extensive
collection of infrared spectra chemical data to the Commerce
Department’s National Institute of Standards and Technology
(NIST). Accepting the donation on behalf of the Commerce
Department at a ceremony today in Washington, D.C., was Commerce
Deputy Secretary Sam Bodman.
The data will be evaluated by NIST for incorporation
into its Chemistry WebBook, an online resource (http://webbook.nist.gov/)
that 600,000 users rely on annually for a wide range of
research
and development applications and educational purposes.
The WebBook provides free access to an array of chemical
and
physical data collections distributed through NIST’s
Standard Reference Data Program. “This generous gift is another example of how the
private sector is working with the federal government to
promote cutting-edge research with wide-ranging applications,” Bodman
said. “As a chemical engineer, I am especially pleased
to see the partnership between Dow and NIST continue to be
fruitful for the entire U.S. chemical industry.”
“We believe NIST is the right home for this vast collection
of infrared spectra because of the agency’s commitment
to make the information broadly available to the entire scientific
community,” said Richard M. Gross, Dow vice president
for global research and development.
The collection of more than 50,000 infrared spectra, independently
valued at more than $5 million, will be an invaluable resource
for those seeking data on a wide range of chemical compounds,
many of which were first synthesized at Dow laboratories. The Dow infrared spectra were collected over a 40-year period
to characterize and identify numerous pure chemicals, including
many synthesized by Dow experimentally as part of product
development efforts or for analysis of process measurements.
The collection will add to the size, breadth and value of
the WebBook, helping scientists to better understand and
make predictions about many different materials in the future.
Infrared spectra provide insight into molecular
structure. Infrared light is partially transmitted through
many materials;
the pattern of light frequencies or spectra absorbed by a
material depends specifically on the vibrations of the material’s
atoms and its crystalline structure.
The NIST WebBook contains infrared spectra for about 6,000
molecules in the vapor phase and about 10,000 in the condensed
(solid or liquid) phase. Infrared spectra change, sometimes
in important ways, from the vapor to the condensed phase,
and there also can be large changes depending upon whether
the spectra are taken in the liquid or solid phase. The range
of data for multiple phases as well as the new structural
elements provided by the Dow data will greatly enhance the
WebBook.
Anyone with access to the World Wide Web can use the Chemistry
WebBook to search for data on specific compounds based on
name, chemical formula or Chemical Abstract Service registry
number, molecular weight, ionization energy or proton affinity.
About 16 percent of current users are at educational institutions,
11 percent are from industry and 30 percent are international
(from 200 different countries). The remaining users are private
individuals, government scientists, non-profit organizations
and Internet service providers. About 55 percent of users
return to the WebBook more than once.
NIST officials hope that the Dow contribution will spur
other donations from industrial laboratories to help make
more chemical information widely available. Donors receive
tax deductions based on the value of the data, which is assessed
independently by a company that specializes in such work.
As
a non-regulatory agency of the U.S. Department of Commerce’s
Technology Administration, NIST develops and promotes measurement,
standards and technology to enhance productivity, facilitate
trade and improve the quality of life.
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