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Merck
CN

778265

Sigma-Aldrich

Bis(pentamethylcyclopentadienyl)barium tetrahydrofuran adduct

Synonym(s):

1,2,3,4,5-Pentamethyl-1,3-cyclopentadiene barium complex, Bis(η5-pentamethylcyclopentadienyl)barium, Bis(1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl)barium

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About This Item

Linear Formula:
[Ba(C5(CH3)5)2] · 2(C4H8O)
UNSPSC Code:
12352300
PubChem Substance ID:
329767959
NACRES:
NA.23

Key Documents

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form

solid

reaction suitability

core: barium

mp

>300 °C

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

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.

Pictograms

FlameSkull and crossbones
GHS02,GHS06

Signal Word

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 Code

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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Certificates of Analysis (COA)

Lot/Batch Number
MKBQ6047V

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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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