Bis(t-butylimido)bis(dimethylamino)molybdenum(VI)

I. Product Basic Information Table (Vertical Format)

II. Properties

Bis(t-butylimido)bis(dimethylamino)molybdenum(VI) is a high-oxidation-state molybdenum (Mo(VI)) organometallic compound in which the central molybdenum atom is coordinated with two strong σ-donating tert-butylimido (tBuN) ligands and two dimethylamino (NMe₂) ligands, forming a stable coordination structure. This compound is an orange liquid at room temperature, exhibiting excellent volatility and thermal stability. Its Mo–N bonds (especially the Mo–NMe₂ bonds) can undergo controlled, selective cleavage under thermal energy, enabling clean release of molybdenum atoms. The substance is extremely sensitive to air and moisture, reacting violently with water to release flammable gases. It must be handled and stored under an inert atmosphere.

III. Applications

This compound is a key ALD/CVD precursor in modern semiconductor manufacturing, primarily used in the following thin-film deposition fields:

Atomic Layer Deposition (ALD) and Chemical Vapor Deposition (CVD): As a molybdenum source precursor for the preparation of functional thin films such as MoNₓ, MoO₃, MoS₂, and MoC₄Nᵧ.

Two-Dimensional Material Preparation: Reacts with sulfurizing agents (e.g., H₂S) to grow two-dimensional MoS₂ thin films via ALD processes for next-generation ultra-scaled transistor channel materials.

Semiconductor Devices: Applied in DRAM, 3D NAND, and logic chips (7 nm and below nodes) for high-step-coverage thin films, metal gates, and diffusion barrier layers.

Photovoltaics and Energy: Used for thin-film deposition in energy fields such as perovskite solar cells and lithium battery electrode coatings.

IV. Preparation / Synthesis

Industrial and laboratory synthetic routes typically employ a two-step method:

Intermediate Preparation: A molybdenum source (such as molybdenum hexacarbonyl Mo(CO)₆ or sodium molybdate) is reacted with tert-butylamine and a base (such as triethylamine) at low temperature (0–5 °C), followed by treatment with trimethylchlorosilane to generate the bis(tert-butylimido)molybdenum dichloride intermediate.

Amination Reaction: The above intermediate is dissolved in an anhydrous solvent (such as toluene or n-hexane). Under an inert atmosphere, a n-hexane solution of lithium dimethylamide (LiNMe₂) is added dropwise at low temperature. After controlled-temperature reaction, the mixture is filtered and subjected to reduced-pressure distillation to obtain the high-purity orange liquid product. The entire process must be strictly anhydrous and oxygen-free, with yields reaching over 80%.

V. Safety Information

This compound belongs to a highly hazardous class of organometallic substances. Its safety characteristics are highly similar to those of analogous tungsten precursors (e.g., bis(t-butylimido)bis(dimethylamino)tungsten(VI), UN 3398). According to the GHS classification system, its signal word is DANGER, with the following main hazard categories:

Water Reactivity: Reacts violently with water, releasing flammable gases that may ignite spontaneously (H260). Therefore, contact with water is strictly prohibited. In case of fire, dry sand, dry powder, or alcohol-resistant foam must be used; water is strictly forbidden for firefighting.

Flammability: Classified as a flammable liquid and vapor (H226), with an extremely low flash point (0 °C). It must be kept away from heat, sparks, open flames, and other ignition sources. Explosion-proof electrical equipment and spark-free tools must be used in the operating environment.

Corrosivity: Causes severe skin burns and eye damage (H314, H318). It is extremely destructive to tissues, mucous membranes, and the upper respiratory tract. Contact may cause spasms, inflammation, bronchitis, and pulmonary edema.

Transportation and Storage: The UN number for this substance is UN 3399 (Organometallic substance, liquid, water-reactive, flammable). The hazard class is 4.3(3) (Substances which, in contact with water, emit flammable gases; also flammable liquid), and the packing group is I (high danger). The proper shipping name is ORGANOMETALLIC SUBSTANCE, LIQUID, WATER-REACTIVE, FLAMMABLE. Storage must be at -20 °C in a tightly closed container under argon, placed in a dry, ventilated area, isolated from oxidizers, acids, and moisture.

Personal Protective Requirements: Operations must be conducted in a fume hood. Wear corrosion-resistant gloves, protective goggles/face shields, and protective clothing. Wash hands thoroughly before and after handling. Contaminated clothing must be washed before reuse.

First Aid Measures: In case of inhalation, immediately move to fresh air. For skin contact, immediately remove contaminated clothing and rinse with plenty of water. For eye contact, immediately rinse with running water for several minutes and remove contact lenses. In case of accidental ingestion, rinse mouth but do not induce vomiting. In all cases, seek immediate medical attention.

VI. Our Production Advantages and Capacity

Our company specializes in the R&D and production of high-purity organometallic compounds and ALD/CVD precursors. In the field of bis(t-butylimido)bis(dimethylamino)molybdenum(VI), we possess the following core competitive advantages:

1. Comprehensive Purity Grades

We offer multi-specification products including 98% (standard grade) and ≥99.99% metals basis (electronic grade / PrimorTrace™ grade) to meet diverse process requirements. Advanced processes require precursor metal impurity levels below 1×10⁻⁹, and our products can achieve ppb-level impurity control standards.

2. Flexible Production Capacity

We possess flexible production capabilities ranging from laboratory gram-scale to industrial ton-scale, with an annual capacity of several hundred kilograms to ton-scale. We support stable batch supply to meet the full-cycle needs of customers from R&D validation to mass production ramp-up.

3. Proprietary Process Technology

We own proprietary intellectual property for the synthetic route, employing anhydrous, oxygen-free, inert-atmosphere protection processes. Our products exhibit excellent batch-to-batch consistency and minimal variation. Through optimized reaction conditions and purification processes, we ensure stable vapor pressure and superior deposition performance.

4. Full-Process Quality Control

We are equipped with a full suite of analytical instruments including NMR, ICP-MS, and GC-MS. Each batch is provided with a COA (Certificate of Analysis), ensuring that key indicators such as purity, moisture content, oxygen content, and metal impurities are traceable and verifiable.

5. Customized Packaging and Services

We support special packaging solutions, including stainless steel cylinders, glass ampoules, and metal ampoules/bubblers—specialized delivery containers for ALD/CVD equipment. We also have a team of semiconductor materials application engineers who can provide value-added services such as ALD/CVD process adaptation consulting and precursor delivery system design.

6. Supply Chain Security and Cost Advantages

As a domestic manufacturer, we break the import monopoly, offer shorter delivery lead times, and provide significant cost advantages compared to imported products. In the current global semiconductor precursor market where over 80% is dominated by international giants, our products can effectively ensure customer supply chain security and reduce the risk of supply “chokepoints.”

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