Thionyl tetrafluoride

Thionyl tetrafluoride
	Structure of thionyl tetrafluoride
Ball-and-stick model of thionyl tetrafluoride	Space-filling model of thionyl tetrafluoride
Names
	IUPAC name Thionyl tetrafluoride
Identifiers
CAS Number	13709-54-1 ;
3D model (JSmol)	Interactive image;
ChemSpider	123077 ;
PubChem CID	139557;
CompTox Dashboard (EPA)	DTXSID30160060 ;
	InChI InChI=1S/F4OS/c1-6(2,3,4)5 Key: DUGWRBKBGKTKOX-UHFFFAOYSA-N ;
	SMILES O=S(F)(F)(F)F;
Properties
Chemical formula	SOF4
Appearance	colorless gas
Density	1.653−0.0036T (°C) liquid
Melting point	−99.6 °C (−147.3 °F; 173.6 K)
Boiling point	−49 °C (−56 °F; 224 K) 5090 cal/mol heat of vapourisation
Solubility in water	reaction in water
log P	7.2349−859.58/T−26275/T²
Structure
Molecular shape	distorted trigonal bipyramid
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H300, H310, H314, H330
Precautionary statements	P260, P262, P264, P270, P271, P280, P284, P301+P310, P301+P330+P331, P302+P350, P303+P361+P353, P304+P340, P305+P351+P338, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, P501
Related compounds
Related oxohalides	Thionyl fluoride; Selenyl tetrafluoride
Related compounds	Phosphoryl trifluoride; pentafluorosulfur hypofluorite; sulfuryl fluoride
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Thionyl tetrafluoride, also known as sulfur tetrafluoride oxide, is an inorganic compound with the formula S O F₄. It is a colorless gas.

The shape of the molecule is a distorted trigonal bipyramid, with the oxygen found on the equator. The atoms on the equator have shorter bond lengths than the fluorine atoms on the axis. In the gas-phase, the sulfur oxygen bond is 1.409Å. A S−F bond on the axis has length 1.596Å and the S−F bond on the equator has length 1.539Å. The angle between the equatorial fluorine atoms is 112.8°. The angle between axial fluorine and oxygen is 97.7°. The angle between oxygen and equatorial fluorine is 123.6° and between axial and equatorial fluorine is 85.7°.^[2] Slight variations of bonds lengths and angles has been observed in solid-state by X-ray analysis.^[3] The fluorine atoms only produce one NMR line, probably because they exchange positions.^[1] It is isoelectronic with phosphorus pentafluoride.

^ ^a ^b ^c ^d Cite error: The named reference aiic was invoked but never defined (see the help page).
^ Hedberg, Lise; Hedberg, Kenneth (March 1982). "Thionyl tetrafluoride. Reanalysis of the molecular structure and resolution of the multiple model problem". The Journal of Physical Chemistry. 86 (5): 598–602. doi:10.1021/j100394a004.
^ Sturm, Johanna; Millanvois, Alexandre; Bahri, Carlota; Golz, Paul; Limberg, Niklas; Wiesner, Anja; Riedel, Sebastian (March 2024). "Streamlining Thionyl Tetrafluoride (SOF4) and Pentafluoro-Oxosulfate [OSF5]− Anions Syntheses". Chemistry A European Journal. 30 (71): e202403365. doi:10.1002/chem.202403365.

[aiic-1] Cite error: The named reference aiic was invoked but never defined (see the help page).

[2] Hedberg, Lise; Hedberg, Kenneth (March 1982). "Thionyl tetrafluoride. Reanalysis of the molecular structure and resolution of the multiple model problem". The Journal of Physical Chemistry. 86 (5): 598–602. doi:10.1021/j100394a004.

[3] Sturm, Johanna; Millanvois, Alexandre; Bahri, Carlota; Golz, Paul; Limberg, Niklas; Wiesner, Anja; Riedel, Sebastian (March 2024). "Streamlining Thionyl Tetrafluoride (SOF4) and Pentafluoro-Oxosulfate [OSF5]− Anions Syntheses". Chemistry A European Journal. 30 (71): e202403365. doi:10.1002/chem.202403365.

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Thionyl tetrafluoride

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