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VIBRATIONAL SPECTRA AND THERMODYNAMIC PROPERTIES OF ClF$sub 3$ AND BrF$sub 3$

Journal Article · · Journal of Chemical Physics (U.S.)
DOI:https://doi.org/10.1063/1.1744107· OSTI ID:4339530
The Raman and infrared spectra of ClF/sub 3/ and BrF/sub 3/ have been studied. The spectra of ClF/sub 3/ give strong support for a planar T-shaped molecular model. The spectra of BrF/sub 3/ are less complete but are sufficiently similar to that of ClF/sub 3/ to confirm a like shape for this molecule. The fundamental vibrational frequencies of ClF/sub 3/ observed for the vapor for 326(a/sub 1), 364(sub 2), 434(b/sub 1/), 528(a/sub 1/), 703(b/sub 1/), and 752(a/sub 1/) cm/sup -1/. S/sup 0/ for ClF/sub 3/, calculated statistically at t he boiling point, 11.75 deg C, is 66.60 cal mole/sup -1/ deg/sup -1/ compared to the value of 67.04 obtained from a revised calculation of this quantity from available thermal dnta. For BrF/sub 3/ only two fundamental frequencies were observed in the vapor, 613(b/sub 1/) and 674(a/sub 1/) cm/sup -1/ ; the others were estimated by a normal coordinate calculation. S/sup 0/ for BrF/ sub 3/ calculated statistically is 70.86 cal mole/sup -1/ deg/sup -1/ at 43.11 deg C compared to a value of 71.90 calculated from available thermal data. Tables of the thermodynamic functions of ClF/sub 3/ and BrF/sub 3/ from 250 to 1000 deg K are given. (auth)
Research Organization:
Argonne National Lab., Lemont, Ill.
Sponsoring Organization:
USDOE
NSA Number:
NSA-12-005260
OSTI ID:
4339530
Journal Information:
Journal of Chemical Physics (U.S.), Journal Name: Journal of Chemical Physics (U.S.) Vol. Vol: 28; ISSN JCPSA
Country of Publication:
Country unknown/Code not available
Language:
English

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