TY - JOUR
T1 - The pure rotational spectrum of thorium monosulfide, ThS
AU - Steimle, Timothy
AU - Zhang, Ruohan
AU - Heaven, Michael C.
N1 - Funding Information:
This research has been supported at ASU by a National Science Foundation Division of Chemistry Grant ( CHE-1265885 ). The work at Emory University is supported by the US Department of Energy under Grant DE-FG02-01ER15153-12 .
Publisher Copyright:
© 2015 Elsevier B.V. All rights reserved.
PY - 2015/10/16
Y1 - 2015/10/16
N2 - The separated field, pump/probe microwave optical double resonance technique was used to study the pure rotational transitions of Th32S X1Σ+. This is the first example of a microwave study of an actinide compound that is not an oxide. Eight rotational lines of ThS were observed, from which the rotational constants B = 3275.05033 ± 0.00041 and D = 0.0006699 ± 0.0000012 MHz were derived. Favorable comparisons with theoretical predictions support the assumption that computationally inexpensive density functional theory methods can provide reliable predictions for ground states of actinide-containing molecules.
AB - The separated field, pump/probe microwave optical double resonance technique was used to study the pure rotational transitions of Th32S X1Σ+. This is the first example of a microwave study of an actinide compound that is not an oxide. Eight rotational lines of ThS were observed, from which the rotational constants B = 3275.05033 ± 0.00041 and D = 0.0006699 ± 0.0000012 MHz were derived. Favorable comparisons with theoretical predictions support the assumption that computationally inexpensive density functional theory methods can provide reliable predictions for ground states of actinide-containing molecules.
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U2 - 10.1016/j.cplett.2015.09.048
DO - 10.1016/j.cplett.2015.09.048
M3 - Article
AN - SCOPUS:84944089114
SN - 0009-2614
VL - 639
SP - 304
EP - 306
JO - Chemical Physics Letters
JF - Chemical Physics Letters
ER -