CrossFire Gmelin

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CrossFire Gmelin
Experimental Reaction and Substance Data from
Organometallic and Inorganic Chemistry
Speeding Materials Discovery

• Dr. Eva Seip
• June 2008

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Gmelin - Indispensable in Material Science
Discovery

• Data from the original Gmelin Handbook of
  Inorganic and Organometallic Chemistry
  (17721975) as well as from the top scientific
  journals (1975-).
• Scientists will find millions of substances
  relevant to the development of materials such as
  phosphors, catalysts, and polymers, and other
  substances used in electronics, magnetics,
  optics, and nanoscience incl.
• General Inorganic compounds (incl. nano
  materials, zeolites, laser materials
• Coordination compounds
• Catalysts
• Solid-state compounds
• Glasses and Ceramic materials
• Alloys, Minerals
• Doped materials
• CrossFire Gmelins extensive coverage drills deep
  into the literature. Hundreds of different
  chemical and physical property fields provide the
  detailed coverage scientists need to assess new
  material performance.

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Gmelin A part of the CrossFire Database Suite

• CrossFire Beilstein
• Experimental reaction and substance data from
  organic chemistry literature since 1776 and
  patent literature from 1886 until 1980.
• Physical and bioactivity data (incl.
  pharmacodynamics, (eco-)toxicological data)

• Patent Chemistry Database (PCD)
• Experimental reaction and substance data from
  organic chemistry and life sciences patent
  publications (World, U.S. EP) since 1976.
• PCD is complementary to the Beilstein database,
  which covers the historical patents published
  from 1876 until 1980.

• CrossFire Gmelin
• Experimental reaction and substance data from
  inorganic and organometallic chemistry literature
  since 1772.
• Millions of substances incl. catalysts,
  coordination compounds, nano materials, zeolites,
  laser materials, solid-state compounds, alloys,
  minerals, doped materials, glasses and ceramics.

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CrossFire Gmelin
Publication 1 Reaction of Compound A
CrossFire Gmelin
One Record
Publication 2 Data of Compound A
CrossFire accumulates multiple data from
different publications into one single substance
records
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Gmelin How to access it
Search Options Strategies
by Bibliographic Details
by Structure
Gmelin
by Chemical Name
by Composition
by Properties
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Gmelin The Content - Examples

• Organometallic Chemistry
• Inorganic Chemistry

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Gmelin Multiple data for Catalysts
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Find preparations of Grubbs-Type catalysts
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Gmelin Grubbs Catalyst Synthesis
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3D-Models for complicated structures
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Complementary data from other CrossFire
databasesExample texts in Patent Chemistry
Database
Experimental reaction data from organic chemistry
patents (C07)
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Gmelin The Content - Examples

• Organometallic Chemistry
• Inorganic Chemistry

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Gmelin Physical Facts

• Condensed phases
• Electrochemistry
• Electrical data
• Magnetic data
• Mechanical properties
• Molecular data
• Multicomponent system data
• Optical data
• Phase transition data
• Spectral data
• Thermal data
• Thermodynamic data
• Transport phenomena

• color, crystal data
• electrochemical potential
• conductivity, electric effects
• magnetic susceptibility
• density, hardness
• vibrational constants
• data of phase diagrams
• refractive index, optic effects
• melting point, critical data
• NMR, IR, ESR, UV
• th. expansion, th. conductivity
• Cp, Cv, enthalphy, entropy
• viscosity data

• Electronic Band Structure
• Electric Conductivity
• Supraconductivity
• Photoconductivity
• Thermoelectric Effects
• Dielectric Constants
• Piezoelectric Effects
• Pyroelectric Effects
• Ferroelectric Effects
• Antiferroelectricity

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Electric Properties
(ELCO and MPgt"1750)

• Electrode materials for Temp. gt 1750 degree C

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Gmelin Physical Facts

• Condensed phases
• Electrochemistry
• Electrical data
• Magnetic data
• Mechanical properties
• Molecular data
• Multicomponent system data
• Optical data
• Phase transition data
• Spectral data
• Thermal data
• Thermodynamic data
• Transport phenomena

• color, crystal data
• electrochemical potential
• conductivity, electric effects
• magnetic susceptibility
• density, hardness
• vibrational constants
• data of phase diagrams
• refractive index, optic effects
• melting point, critical data
• NMR, IR, ESR, UV
• th. expansion, th. conductivity
• Cp, Cv, enthalphy, entropy
• viscosity data

• Specific Heat at Constant Pressure Cp
• Specific Heat at Constant Volume Cv
• Enthalpy of Formation
• Gibbs Energy of Formation
• Entropy of Formation
• Equation of State

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Thermodynamic Data Cp values

• Example Searching for Cp values of
  Cd(H2O)6(ClO4)2
• Query MOFO"Cd(H2O)6(ClO4)2 " and CP

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Scenario Cp values

• Graphic visualization of exported of Cp Data

Phase I
Phase II
Phase III
transition points
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Conclusion

• CrossFire Gmelin is
• A factual database for inorganic and
  organometallic Chemistry
• The most complete collection of data in its
  focus
• A unique source of information
• compounds and reactions
• detailed experimental data for both