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About This Item
Linear Formula:
[Ba(C5(CH3)5)2] · 2(C4H8O)
UNSPSC Code:
12352300
PubChem Substance ID:
NACRES:
NA.23
SMILES string
C[C]1[C](C)[C]([C](C)[C]1C)C.C[C]2[C](C)[C](C)[C](C)[C]2C.C3CCOC3.C4CCOC4.[Ba]
InChI
1S/2C10H15.2C4H8O.Ba.2H/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-2-4-5-3-1;;;/h2*1-5H3;2*1-4H2;;;
InChI key
LFDQXDVHCMWHSI-UHFFFAOYSA-N
form
solid
reaction suitability
core: barium
mp
>300 °C
Quality Level
Application
Cyclopentadienyl compounds of Barium are very commonly used ALD/CVD precursors for depositing Barium containing thin films; example BaTiO3, BaZrO3 films. Cyclopentadienyl groups form weaker bonds with Barium, but have stronger bonds within the ligand thus preventing carbon contamination of the films. Cyclopentadienyl precursors of barium sublime under reduced pressures, with tetrahydrofuran adducts showing volatility also under atmospheric pressure. The tetrahydrofuran adducts loose the coordinated THF when evaporated. Complexes with bulky cyclopentadienyl ligands are more thermally stable and volatile.
Barium containing thin films find applications as host lattices for luminescent materials; high temperature superconductors; high permittivity dielectrics and ferroelectrics.
Barium containing thin films find applications as host lattices for luminescent materials; high temperature superconductors; high permittivity dielectrics and ferroelectrics.
signalword
Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Flam. Sol. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
4.1B - Flammable solid hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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Timothy P Holme et al.
The journal of physical chemistry. A, 111(33), 8147-8151 (2007-07-28)
A new selection method for atomic layer deposition (ALD) or chemical vapor deposition (CVD) precursors is proposed and tested. Density functional theory was used to simulate Sr and Ba precursors, and several precursors were selected and used to grow films
Vehkamaki; M.;
Electrochemical and Solid-State Letters, 2(10), 504-504 (1999)
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