20396-66-1

Basic information

• Product Name: DIBORANE-D 6
• Synonyms: DIBORANE-D 6;DIBORANE-D6 10% IN DEUTERIUM ELECTRON&;DIBORANE-D6, 10% IN HELIUM, ELECTRONIC G RADE;Diborane(6)-d6;Perdeuterodiborane;Deuterated Diborane
• CAS NO: 20396-66-1
• Molecular Formula: B2D6
• Molecular Weight: 33.71
• Product Categories: Chemical Synthesis;Compressed and Liquefied GasesVapor Deposition Precursors;Gases;Precursors by Metal;Synthetic Reagents;Chemical Synthesis;CVD and ALD Precursors by Metal;Materials Science;Micro/NanoElectronics;Specialty Gases;Synthetic Reagents;Vapor Deposition Precursors
• Mol File: 20396-66-1.mol

Chemical Properties

• Boiling Point: −92.5 °C(lit.)
• Appearance: /gas
• CAS DataBase Reference: DIBORANE-D 6(CAS DataBase Reference)
• NIST Chemistry Reference: DIBORANE-D 6(20396-66-1)
• EPA Substance Registry System: DIBORANE-D 6(20396-66-1)

Safety Data

• Hazard Codes: T,F+
• Statements: 23/24/25-36/37/38-12
• Safety Statements: 9-16-36/37/39-45
• RIDADR: UN 1953 2.3
• WGK Germany: 3
• Hazardous Substances Data: 20396-66-1(Hazardous Substances Data)

Usage

Uses

Used in Semiconductor Industry:
Diborane-D6 is used as a p-type dopant for the deposition of epitaxial and amorphous silicon thin films. Its unique properties contribute to enhanced device performance and reliability in the semiconductor industry.
Used in Research and Development:
Diborane-D6 is also utilized in research and development for studying the effects of deuterium isotopes on various chemical reactions and processes. This helps in understanding the fundamental aspects of chemical reactions and can lead to the development of new materials and technologies.
Used in Analytical Chemistry:
In analytical chemistry, diborane-d6 can be employed as a reference material or a reagent for specific analytical techniques. Its distinct properties make it suitable for certain applications, such as isotope dilution mass spectrometry, where it can help in the accurate determination of trace elements or compounds.
Used in Material Science:
Diborane-D6 can be used in material science for the synthesis of novel materials with unique properties. The incorporation of deuterium isotopes can lead to changes in the material's characteristics, such as improved thermal or electrical conductivity, which can be beneficial in various applications.

Upstream product

• 7637-07-2 boron trifluoride 
• 13813-19-9 sulfuric acid-d2 
• 16873-17-9 deuterium 
• 19287-45-7 diborane 
• 17653-38-2 C₂B₇H₁₃ 

Relevant articles and documents

Selective electrocatalytic hydroboration of aryl alkenes

Organoboron compounds are powerful precursors of value-added organic compounds in synthetic chemistry, and transition metal-catalysed borylation has always been dominant. To avoid toxic reagents and costs associated with metal catalysts, simpler, more eco

Thioether-Directed NiH-Catalyzed Remote γ-C(sp3)-H Hydroamidation of Alkenes by 1,4,2-Dioxazol-5-ones

A NiH-catalyzed thioether-directed cyclometalation strategy is developed to enable remote methylene C-H bond amidation of unactivated alkenes. Due to the preference for five-membered nickelacycle formation, the chain-walking isomerization initiated by the NiH insertion to an alkene can be terminated at the γ-methylene site remote from the alkene moiety. By employing 2,9-dibutyl-1,10-phenanthroline as the ligand and dioxazolones as the reagent, the amidation occurs at the γ-C(sp3)-H bonds to afford the amide products in up to 90% yield (>40 examples) with remarkable regioselectivity (up to 24:1 rr).

Elucidation of the Formation Mechanisms of the Octahydrotriborate Anion (B3H8-) through the Nucleophilicity of the B-H Bond

Boron compounds are well-known electrophiles. Much less known are their nucleophilic properties. By recognition of the nucleophilicity of the B-H bond, the formation mechanism of octahydrotriborate (B3H8-) was elucidated on the bases of both experimental and computational investigations. Two possible routes from the reaction of BH4- and THF·BH3 to B3H8- were proposed, both involving the B2H6 and BH4- intermediates. The two pathways consist of a set of complicated intermediates, which can convert to each other reversibly at room temperature and can be represented by a reaction circle. Only under reflux can the B2H6 and BH4- intermediates be converted to B2H5- and BH3(H2) via a high energy barrier, from which H2 elimination occurs to yield the B3H8- final product. The formation of B2H6 from THF·BH3 by nucleophilic substitution of the B-H bond was captured and identified, and the reaction of B2H6 with BH4- to produce B3H8- was confirmed experimentally. On the bases of the formation mechanisms of B3H8-, we have developed a facile synthetic method for MB3H8 (M = Li and Na) in high yields by directly reacting the corresponding MBH4 salts with THF·BH3. In the new synthetic method for MB3H8, no electron carriers are needed, allowing convenient preparation of MB3H8 in large scales and paving the way for their wide applications.

Iron-Catalyzed 1,2-Selective Hydroboration of N-Heteroarenes

A N2-bridged diiron complex [Cp?(Ph2PC6H4S)Fe]2(μ-N2) (1) has been found to catalyze the hydroboration of N-heteroarenes with pinacolborane, giving N-borylated 1,2-reduced products with hig

Application of cooperative iron/copper catalysis to a palladium-free borylation of aryl bromides with pinacolborane

A new cooperative copper/iron catalysis for the borylation of various aryl bromides with pinacolborane, at -10 °C, is reported. Use of the toxic, precious metal Pd is avoided. The mechanism of the protodebromination side reaction is discussed.

Evidence for strong tantalum-to-boron dative interactions in (silox) 3Ta(BH3) and (silox)3Ta(η2-B,Cl- BCl2Ph) (silox = tBu3SiO)1

Treatment of (silox)3Ta (1, silox = tBu 3SiO) with BH3·THF and BCl2Ph afforded (silox)3Ta(BH3) (2) and (silox)3Ta- (η2-B,Cl-BCl2Ph) (3), which are both remarkably stable Ta(III) compounds. NMe3 and ethylene failed to remove BH3 from 2, and no indication of BH3 exchange with BH 3·THF-d8 was noted via variable-temperature 1H NMR studies. Addition of BH3·THF to (silox) 3TaH2 provided the borohydride-hydride (silox) 3HTa(η3-BH4) (5), and its thermolysis released H2 to generate 2. Exposure of 2 to D2 enabled the preparation of isotopologues (silox)3Ta(BH3-nD n) (n = 0, 2; 1, 2-D; 2, 2-D2; 3, 2-D3) for isotopic perturbation of chemical shift studies, but these failed to distinguish between inverse adduct (i.e., (silox)3Ta→BH 3) or (silox)3Ta(η2-B,H-BH3) forms of 2. Computational models (RO)3Ta(BH3) (R = H, 2′; SiH3,2SiH SiMe3,2SiMe, and SitBu3, 2SiBu) were investigated to assess the relative importance of steric and electronic effects on structure and bonding. With small R, η2-B,H structures were favored, but for 2 SiMe and 2SiBu, the dative structure proved to be similar in energy. The electonic iand vibrational features of both structure types were probed. The IR spectrum of 2 was best matched by the η2-B,H conformer of 2SiBu. In related computations pertaining to 3, small R models favored the oxidative addition of a BCl bond, while with R = Si tBu3 (3SiBu), an excellent match with its X-ray crystal structure revealed the critical steric influence of the silox ligands.

Reactions of pulsed-laser evaporated boron atoms with hydrogen. Infrared spectra of boron hydride intermediate species in solid argon

Pulsed-laser ablated B atoms react with H2 upon condensation with excess argon to give BH, a (H2)(BH) complex, and B2H6 as the major products. The initial reaction to form BH requires activation energy, and BH reacts with H2 to give additional products. Sharp new bands at 2587.3 and 1129.2 cm-1 exhibit natural isotopic 1:4 doublets for vibrations involving a single boron atom and disappear on annealing to 25 K. Substitution of 10B and D gives shifts that are matched by MBPT(2) calculations of vibrational spectra for planar BH3. Broader bands at 2475.2 and 1134.3 cm-1 exhibit similar isotopic shifts for vibrations of a BH3 submolecule and decrease on annealing to 25 K. The displacements from isolated BH3 frequencies suggest a (H2)(BH3) complex and are in general agreement with recent quantum chemical calculations for BH5. A sharp 2679.9-cm-1 band gives the 10B shift predicted by MBPT(2) calculations for linear HBBH. A weak 2212.8-cm-1 band exhibits the 10B shift and frequency calculated for the strongest band of BH4-. Additional broad absorptions that remain on annealing are attributed to higher boranes.

Photoelectron spectroscopy of BH3-

We have studied the photoelectron spectra of BH3- and BD3- and have measured the electron affinities of borane; we find EA(BH3)=0.038+/-0.015 eV and EA(BD3)=0.027+/-0.014 eV.The peak splittings and intensities demonstrate that the BH3- ion and the BH3 neutral have very similar geometries; our spectra are consistent with a planar structure for both species.Variational calculations of a coupled oscillator basis over an ab initio potential give an excellent fit to the experimental frequencies and photodetachment Franck-Condon factors.This ab initio model leads toequilibrium geometries with both BH3 and BH3- as planar molecules with re(BH3-)=1.207 Angstroem and re(BH3)=1.188 Angstroem.We find ΔHf0 o(BH3-)=23.1+/-3.8 kcal mol-1.