1966
DOI: 10.1063/1.1727320
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Dissociation Energies of Group IIIA Monofluorides—The Possibility of Potential Maxima in Their Excited Π States

Abstract: The dissociation energies D0″ have been measured for GaF, InF, and TlF using high-temperature mass-spectrometric techniques. These results, along with those from previous studies, yield D0″=180±3, 159±3, 138±3.5, 121±3.5, and 101±3.5 kcal/mole for BF, AlF, GaF, InF, and TlF, respectively. Comparison of D0″ thus obtained with that derived from Birge—Sponer extrapolation of the A 1Π state indicates that for all these molecules the spectroscopically derived dissociation energies are higher than the thermochemical… Show more

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Cited by 50 publications
(17 citation statements)
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“…Correcting for CV effects, we find r e = 1.218 − δr e = 1.218 − 0.003 = 1.215 Å in perfect agreement with the experimental value of r e = 1.2149 Å (see Table I). The two atoms are slightly bound by 12.2(9.0) kcal/mol at the valence MRCI(+Q)/A6ζ level as compared to an experimental value being 7.5 kcal/mol, 7,16,57 and a large barrier of 27.7 kcal/mol which prevents its dissociation. The equilibrium CFs…”
Section: B 3 + (4) C 3 + (6) and 3 − (11)mentioning
confidence: 71%
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“…Correcting for CV effects, we find r e = 1.218 − δr e = 1.218 − 0.003 = 1.215 Å in perfect agreement with the experimental value of r e = 1.2149 Å (see Table I). The two atoms are slightly bound by 12.2(9.0) kcal/mol at the valence MRCI(+Q)/A6ζ level as compared to an experimental value being 7.5 kcal/mol, 7,16,57 and a large barrier of 27.7 kcal/mol which prevents its dissociation. The equilibrium CFs…”
Section: B 3 + (4) C 3 + (6) and 3 − (11)mentioning
confidence: 71%
“…Unfortunately, they could not deduce any information on the dissociation energy (D) of the X-state, although a value of 7.81 ± 0.13 eV had already been given based on previous thermochemical data. 16 It is worth noticing at this point that a D 0 value larger by 5 kcal/mol based on a Birge-Sponer extrapolation of the vibrational levels of the A 1 state had been already reported. 17 This 5 kcal/mol difference was attributed to a maximum in the potential curve of that A 1 state, considering the systematic and uniform discrepancies found in a series of group IIIA monofluorides.…”
Section: Introductionmentioning
confidence: 86%
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“…The BF molecule is a (formally) triply bonded closed shell system, isoelectronic to CO, and strongly bound; its experimental bond length and binding energy are r e = 1.26712 Å and D 0 = 180 ± 3 kcal/mol (=7.806 ± 0.130 eV), respectively; see also Ref. .…”
Section: Resultsmentioning
confidence: 98%
“…Between 1957 and 1985, many electronic states have been investigated by using different experimental techniques [1][2][3][4][5][6][7][8][9][10]. Between 1988 and 2011, 22 singlet and triplet electronic states have been studied theoretically .…”
Section: Introductionmentioning
confidence: 99%