THE H-NCS BOND-ENERGY, DELTA-H-DEGREES(F)(HNCS), DELTA-H-DEGREES(F)(NCS), AND IP(NCS) FROM PHOTOIONIZATION MASS-SPECTROMETRIC STUDIES OF HNCS, NCS, AND (NCS)(2)

Citation
B. Ruscic et J. Berkowitz, THE H-NCS BOND-ENERGY, DELTA-H-DEGREES(F)(HNCS), DELTA-H-DEGREES(F)(NCS), AND IP(NCS) FROM PHOTOIONIZATION MASS-SPECTROMETRIC STUDIES OF HNCS, NCS, AND (NCS)(2), The Journal of chemical physics, 101(9), 1994, pp. 7975-7989
Citations number
52
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
101
Issue
9
Year of publication
1994
Pages
7975 - 7989
Database
ISI
SICI code
0021-9606(1994)101:9<7975:THBDD>2.0.ZU;2-A
Abstract
The species HNCS and NCS have been studied by photoionization mass spe ctroscopy. The adiabatic ionization potential (IP) of HNCS is less tha n or equal to 9.92 eV; the shape of the ion yield curve near threshold implies a large change in geometry, perhaps to linear HNCS+. Various appearance potentials (AP) from HNCS are determined by a more objectiv e procedure, from which Delta H-f(o)(HNCS)>29.6 kcal/mol (and very lik ely greater than or equal to 31.0+/-0.7 kcal/mol) is deduced. The adia batic IP of NCS is 10.689+/-0.005 eV. This quantity, together with AP( NCS+/HNCS), yields D-0(H-NCS)less than or equal to 97.2+/-0.2 kcal/mol . However, a measurement of the appearance potential of NCS+ from (NCS )(2) results in a still lower value, D-0(H-NCS)less than or equal to 9 3.3+/-1.1 kcal/mol, and Delta H-o(f0)(NCS) less than or equal to 72.7 +/- 0.8 kcal/mol. Approximate values are obtained for Delta H-f0(o)(HN CS+) and for the proton affinity of NCS.