Chlorine trifluoride oxide. IV. Reaction chemistry

Schack, Carl J.; Lindahl, Charles B.; Pilipovich, Donald

doi:10.1021/ic50115a043

Cited by 27 publications

(17 citation statements)

References 3 publications

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“…We prepare HOCl by simply mixing Cl 2 O, which is synthesized according to the method of Schack and Lindahl, 18 with H 2 O in a 1:1 ratio. Equilibrium is rapidly attained between these two species and HOCl, with the latter having a fractional concentration of 14%.…”

Section: Experimental Approachmentioning

confidence: 99%

Direct measurement of eigenstate-resolved unimolecular dissociation rates of HOCI

Wedlock

Jost

Rizzo

1997

The Journal of Chemical Physics

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State-to-state unimolecular reaction dynamics of HOCl near the dissociation threshold: The role of vibrations, rotations, and IVR probed by time-and eigenstate-resolved spectroscopy Double-resonance overtone excitation prepares HOCl molecules in single rovibrational states above the unimolecular dissociation threshold in the ground electronic state. Detecting the OH dissociation fragments allows us to observe which reactant states lie above or below the dissocation threshold and determine that threshold to be 19 290.3Ϯ0.6 cm Ϫ1 . Dissociation rates from single, well-characterized eigenstates of the parent molecule exhibit fluctuations of more than an order of magnitude.

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Section: Experimental Approachmentioning

confidence: 99%

Direct measurement of eigenstate-resolved unimolecular dissociation rates of HOCI

Wedlock

Jost

Rizzo

1997

The Journal of Chemical Physics

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“…However, they are usually stable at the room temperature under certain conditions. Many investigations have been performed to study halogen fluorides, such as ClFO 3 [8], ClF 3 O [9][10][11][12][13][14][15][16][17], ClF 3 O 2 [18][19][20], and BrF 3 O [17,21]. The adducts of ClFO 2 , e.g., ClFO 2 BF 3 and ClFO 2 AsF 5 were also studied and found to exist in ionic structures ClO 2 + BF 4 − and ClO 2 + AsF 6 − , respectively [22].…”

Section: Introductionmentioning

confidence: 99%

A theoretical prediction of thermodynamic properties of chlorine fluorides

Du¹,

Liu²,

Wang³

et al. 2011

Thermochimica Acta

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“…The oxide of ClF 3 , chlorine trifluoride oxide (ClF 3 O) has some similar properties with ClF 3 . Many investigations have been performed to study its preparation, vibrational spectrum, thermodynamic properties, and reactions7–14. With Lewis acid boron trifluoride (BF 3 ), a white crystalline adduct (ClF 2 OBF 4 ) was formed.…”

Section: Introductionmentioning

confidence: 99%

Theoretical study on the adduct of chlorine trifluoride oxide and boron trifluoride—molecular and crystal structures, vibrational spectrum, and thermodynamic properties

Wang

Gong

et al. 2011

Int J of Quantum Chemistry

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To search for the most stable form and understand the relationship between the structure and property of the adduct of chlorine trifluoride oxide and boron trifluoride, various isomeric structures were constructed and optimized with the first principle methods. The most stable structure of the adduct has an ionic form. The vibrational spectra were calculated and assigned, and used to compute the standard thermodynamic properties. Molecular mechanics method was employed to predict the possible crystal packing of the adduct, and density functional theory method was used to refine the crystal structure and to calculate the energy band. The obtained band gap (3.40 eV) shows that the crystal is insensitive and stable under closed environment as was found experimentally.

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Chlorine trifluoride oxide. IV. Reaction chemistry

Cited by 27 publications

References 3 publications

Direct measurement of eigenstate-resolved unimolecular dissociation rates of HOCI

Direct measurement of eigenstate-resolved unimolecular dissociation rates of HOCI

A theoretical prediction of thermodynamic properties of chlorine fluorides

Theoretical study on the adduct of chlorine trifluoride oxide and boron trifluoride—molecular and crystal structures, vibrational spectrum, and thermodynamic properties

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