TY - JOUR
T1 - Microwave spectrum of arsenic triphosphide
AU - Daly, Adam M.
AU - Cossairt, Brandi M.
AU - Southwood, Gavin
AU - Carey, Spencer J.
AU - Cummins, Christopher C.
AU - Kukolich, Stephen G.
N1 - Funding Information:
This material is based upon work supported by the National Science Foundation under Grants Nos. CHE-0721505 and CHE-0809053 at the University of Arizona (SGK) and under Grant No. CHE-719157 at the Massachusetts Institute of Technology. Cossairt and Cummins would also like to thank Thermphos International for support.
PY - 2012/8
Y1 - 2012/8
N2 - The microwave spectrum of AsP 3 has been measured and assignments for three different vibrational states have been made. The symmetric top ΔJ = +1 transitions have been fit to obtain rotational constants, centrifugal distortion constants and quadrupole coupling strengths for the three vibrational states (I-III), B I = 2201.394(1) MHz, eQqaaI = 48.728(5) MHz, DJI = 0.2(3) kHz, DJKI = 0.5(1) kHz and σ I = 4 kHz, B II = 2192.26(1) MHz, eQqaaII = 48.62(4) MHz, B III = 2183.93(2) MHz, eQqaaIII = 48.53(4) MHz. The experimental vibration-rotation coupling constant, α(ν 4) = 9.20(3) MHz is compared with results from MP2/6-311G calculations. The excited states (II and III) are tentatively assigned to the ν 4 and 2ν 4 excited vibrational states.
AB - The microwave spectrum of AsP 3 has been measured and assignments for three different vibrational states have been made. The symmetric top ΔJ = +1 transitions have been fit to obtain rotational constants, centrifugal distortion constants and quadrupole coupling strengths for the three vibrational states (I-III), B I = 2201.394(1) MHz, eQqaaI = 48.728(5) MHz, DJI = 0.2(3) kHz, DJKI = 0.5(1) kHz and σ I = 4 kHz, B II = 2192.26(1) MHz, eQqaaII = 48.62(4) MHz, B III = 2183.93(2) MHz, eQqaaIII = 48.53(4) MHz. The experimental vibration-rotation coupling constant, α(ν 4) = 9.20(3) MHz is compared with results from MP2/6-311G calculations. The excited states (II and III) are tentatively assigned to the ν 4 and 2ν 4 excited vibrational states.
KW - "Molecular structure Vibration-rotation interaction"
KW - Microwave spectroscopy
KW - Quadrupole coupling
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U2 - 10.1016/j.jms.2012.03.007
DO - 10.1016/j.jms.2012.03.007
M3 - Article
AN - SCOPUS:84866183513
SN - 0022-2852
VL - 278
SP - 68
EP - 71
JO - Journal of Molecular Spectroscopy
JF - Journal of Molecular Spectroscopy
IS - 1
ER -