The H--NCS bond energy, [Delta][ital H][sup [circ]][sub [ital f]] (HNCS), [Delta][ital H][sup [circ]][sub [ital f]] (NCS), and IP(NCS) from photoionization mass spectrometric studies of HNCS, NCS, and (NCS)[sub 2]

Journal Article · Tue Nov 01 04:00:00 EST 1994 · Journal of Chemical Physics; (United States)

DOI:https://doi.org/10.1063/1.468495· OSTI ID:7168427

Ruscic, B; Berkowitz, J ^[1]

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1. Chemistry Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

The species HNCS and NCS have been studied by photoionization mass spectroscopy. The adiabatic ionization potential (IP) of HNCS is [le]9.92 eV; the shape of the ion yield curve near threshold implies a large change in geometry, perhaps to linear HNCS[sup +]. Various appearance potentials (AP) from HNCS are determined by a more objective procedure, from which [Delta][ital H][sup [circ]][sub [ital f]](HNCS)[gt]29.6 kcal/mol (and very likely [ge]31.0[plus minus]0.7 kcal/mol) is deduced. The adiabatic IP of NCS is 10.689[plus minus]0.005 eV. This quantity, together with AP(NCS[sup +]/HNCS), yields [ital D][sub 0](H--NCS)[le]97.2[plus minus]0.2 kcal/mol. However, a measurement of the appearance potential of NCS[sup +] from (NCS)[sub 2] results in a still lower value, [ital D][sub 0](H--NCS)[le]93.3[plus minus]1.1 kcal/mol, and [Delta][ital H][sub [ital f][sub 0]][sup [circ]](NCS) [le] 72.7 [plus minus] 0.8 kcal/mol. Approximate values are obtained for [Delta][ital H][sub [ital f][sub 0]][sup [circ]](HNCS[sup +]) and for the proton affinity of NCS.

• Research Organization: Argonne National Laboratory (ANL), Argonne, IL
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 7168427
• Journal Information: Journal of Chemical Physics; (United States), Journal Name: Journal of Chemical Physics; (United States) Vol. 101:9; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

664400* -- Experimentally Derived Information on Atomic & Molecular Properties-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
BINDING ENERGY
CARBON COMPOUNDS
CARBON NITRIDES
CARBON SULFIDES
CHALCOGENIDES
CYANIDES
ELEMENTS
ENERGY
HYDROCYANIC ACID
HYDROGEN
HYDROGEN COMPOUNDS
INORGANIC ACIDS
IONIZATION
IONIZATION POTENTIAL
ISOMERS
MASS SPECTROSCOPY
NITRIDES
NITROGEN COMPOUNDS
NONMETALS
ORGANIC COMPOUNDS
ORGANIC SULFUR COMPOUNDS
PHOTOIONIZATION
PNICTIDES
SHAPE
SPECTROSCOPY
SULFIDES
SULFUR COMPOUNDS
THRESHOLD ENERGY
YIELDS