14868-53-2

Basic information

• Product Name: pentasilane
• Synonyms: Pentasilane
• CAS NO: 14868-53-2
• Molecular Formula: H₁₂Si₅
• Molecular Weight: 152.5228
• Mol File: 14868-53-2.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: pentasilane(CAS DataBase Reference)
• NIST Chemistry Reference: pentasilane(14868-53-2)
• EPA Substance Registry System: pentasilane(14868-53-2)

Safety Data

• Hazardous Substances Data: 14868-53-2(Hazardous Substances Data)

Usage

General Description

Pentasilane is a chemical compound with the formula Si5H12, consisting of five silicon atoms and twelve hydrogen atoms. It is a colorless, flammable gas with a strong, unpleasant odor. Pentasilane is primarily used as a precursor in the production of silicon nitride and silicon carbide, which are important industrial ceramics. It has also been studied for its potential use in semiconductor materials and as a high-energy density fuel. Pentasilane is highly reactive and requires careful handling due to its flammability and potential for spontaneous combustion in air. Overall, it is an important and versatile compound with various applications in the fields of materials science and energy.

Synthetic route

SiF2 + hydrogen fluoride (7664-39-3) → n-pentasilane (14868-53-2) + isopentasilane (14868-54-3) + 3-silylpentasilane (52988-75-7) + (SiH3)2Si4H8 (14868-55-4) + hexasilane (14693-61-9)

Conditions	Yield
In hydrogen fluoride

disilane → trisilane (7783-26-8) + n-tetrasilane (7783-29-1) + n-pentasilane (14868-53-2) + hydrogen (1333-74-0) + monosilane (7440-21-3)

Conditions	Yield
In neat (no solvent) Kinetics; Irradiation (UV/VIS); photolyses at 0.7-4 Torr and 147 nm;

disilane → trisilane (7783-26-8) + disilene + disilyne + n-tetrasilane (7783-29-1) + n-pentasilane (14868-53-2)

Conditions	Yield
In gas other products are: Si3H6, Si4H8, Si5H10 (1-silene isomers), 30 Torr, 298-740 K, at higher temperatures(740 K) probably cyclo-Si4 and cyclo-Si5derivatives form; detected by mass spectra;

magnesium silicide → trisilane (7783-26-8) + disilane + n-tetrasilane (7783-29-1) + n-pentasilane (14868-53-2) + monosilane (7440-21-3)

Conditions	Yield
With phosphoric acid further products;
With hydrogenchloride byproducts: H2, Si6H14; amount of different silanes decraeses with increasing its molecular weight;
With HCl byproducts: H2, Si6H14; amount of different silanes decraeses with increasing its molecular weight;

disilane + hydrogen → trisilane (7783-26-8) + n-tetrasilane (7783-29-1) + n-pentasilane (14868-53-2) + monosilane (7440-21-3)

Conditions	Yield
In neat (no solvent) Si2H6 deposited on si substrate, cooled to 10 K, exposed to H atoms at 27 K;

n-pentasilane (14868-53-2) → 4-silylheptasilane (75280-00-1) + 3-silylhexasilane (74850-83-2)

Conditions	Yield
In further solvent(s) Irradiation (UV/VIS); under He, 2.5 h, in 2,3-dimethylbutane, room temp.;	A 13% B 20%

n-pentasilane (14868-53-2) → trisilane (7783-26-8) + disilane + n-tetrasilane (7783-29-1) + 4-silylheptasilane (75280-00-1) + 3-silylhexasilane (74850-83-2)

Conditions	Yield
In further solvent(s) Irradiation (UV/VIS); 9 h, room temp., in 2,3-dimethylbutane;	A 12.3% B 8.9% C 2.2% D 2.7% E 4.4%

potassium silanide + n-pentasilane (14868-53-2) → 2-potassium trisilanyl + potassium hydride + 2-potassium iso-tetrasilanyl

Conditions	Yield
In 1,2-dimethoxyethane (N2), to the soln. of KSiH3 in DME added silane (ratio 1:1 and 1:2) at room temp. dropwise under stirring, reaction time 1 and 72 h; gas chromy.;

Upstream product

• 7664-39-3 hydrogen fluoride 
• 1590-87-0 disilane 
• 22831-39-6 magnesium silicide 

Downstream Products

• 7783-26-8 trisilane 
• 1590-87-0 disilane 
• 7783-29-1 n-tetrasilane 
• 75280-00-1 4-silylheptasilane 
• 74850-83-2 3-silylhexasilane 

Relevant articles and documents

Synthesis of polysilanes by tunneling reactions of H atoms with solid Si2H6 at 10K

Tunneling reactions of H atoms with solid Si2H6 at 10K were investigated. The in situ and real-time reactions H + Si 2H6 to form silane and polysilanes were monitored using FT-IR. Quantitative analysis of gaseou

The 147-nm Photolysis of Disilane

The photodecomposition of Si2H6 at 147 nm results in the formation of H2, SiH4, Si3H8, Si4H10, Si5H12, and a solid film of amorphous silicon hydride (a-Si:H).Three primary processes are proposed to accoount for the results, namely, (a) Si2H6 + hν -> SiH2 + SiH3 + H (φa=0.61); (b) Si2H6 + hν -> SiH3SiH + 2H (φb=0.18); (c) Si2H6 + hν -> Si2H5 + H (φc=0.21).The overall quantum yields depend on the pressure but at 1 Torr partial pressure of Si2H6 are Φ(-Si2H6)=4.3+/-0.2, Φ(SiH4)=1.2+/-0.4, Φ(Si3H8)=0.91+/-0.08, Φ(Si4H10)=0.62+/-0.03, Φ(Si,wall)=2.2.Quantum yields for H2 formation were not measured.A mechanism is proposed which is shown to be in accord with the experimental facts.