Abstract
The propargyl radical (CH2C≡CH) produced by the ArF excimer laser photolysis of allene was observed by time-resolved infrared diode laser spectroscopy. More than one hundred and fifty absorption lines have been assigned to the v6 (CH2-wagging) fundamental band of propargyl. Most of the absorption lines were observed as doublets due to the spin-rotation interaction in the 2B1 ground electronic state. The rotational and spin-rotation interaction constants derived for the ground vibrational state are, A0 = 9.608 47(36), B0 = 0.317 674(24), C0 = 0.307 098(24), ∈aa = -0.017 58(95), and ∈bb = -0.000 355(76) cm-1, where the figures in parentheses are 2.5 times standard deviations to be attached to the last digit. The v6 band origin is 687.176 03(62) cm-1, consistent with the infrared spectrum observed in the argon matrix. Anomalously large vibrational changes in the A rotational constant and the ΔK centrifugal distortion constant are accounted for by the a-type Coriolis interaction between the v6 and v10 states, where v10 is the CH2-rocking vibration.
| Original language | English |
|---|---|
| Pages (from-to) | 6450-6458 |
| Number of pages | 9 |
| Journal | The Journal of Chemical Physics |
| Volume | 103 |
| Issue number | 15 |
| DOIs | |
| Publication status | Published - Jan 1 1995 |
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All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
Cite this
Time-resolved diode laser spectroscopy of the v6 band of propargyl produced by the UV photolysis of allene. / Tanaka, Keiichi; Harada, Takeshi; Sakaguchi, Kouichi; Harada, Kensuke; Tanaka, Takehiko.
In: The Journal of Chemical Physics, Vol. 103, No. 15, 01.01.1995, p. 6450-6458.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Time-resolved diode laser spectroscopy of the v6 band of propargyl produced by the UV photolysis of allene
AU - Tanaka, Keiichi
AU - Harada, Takeshi
AU - Sakaguchi, Kouichi
AU - Harada, Kensuke
AU - Tanaka, Takehiko
PY - 1995/1/1
Y1 - 1995/1/1
N2 - The propargyl radical (CH2C≡CH) produced by the ArF excimer laser photolysis of allene was observed by time-resolved infrared diode laser spectroscopy. More than one hundred and fifty absorption lines have been assigned to the v6 (CH2-wagging) fundamental band of propargyl. Most of the absorption lines were observed as doublets due to the spin-rotation interaction in the 2B1 ground electronic state. The rotational and spin-rotation interaction constants derived for the ground vibrational state are, A0 = 9.608 47(36), B0 = 0.317 674(24), C0 = 0.307 098(24), ∈aa = -0.017 58(95), and ∈bb = -0.000 355(76) cm-1, where the figures in parentheses are 2.5 times standard deviations to be attached to the last digit. The v6 band origin is 687.176 03(62) cm-1, consistent with the infrared spectrum observed in the argon matrix. Anomalously large vibrational changes in the A rotational constant and the ΔK centrifugal distortion constant are accounted for by the a-type Coriolis interaction between the v6 and v10 states, where v10 is the CH2-rocking vibration.
AB - The propargyl radical (CH2C≡CH) produced by the ArF excimer laser photolysis of allene was observed by time-resolved infrared diode laser spectroscopy. More than one hundred and fifty absorption lines have been assigned to the v6 (CH2-wagging) fundamental band of propargyl. Most of the absorption lines were observed as doublets due to the spin-rotation interaction in the 2B1 ground electronic state. The rotational and spin-rotation interaction constants derived for the ground vibrational state are, A0 = 9.608 47(36), B0 = 0.317 674(24), C0 = 0.307 098(24), ∈aa = -0.017 58(95), and ∈bb = -0.000 355(76) cm-1, where the figures in parentheses are 2.5 times standard deviations to be attached to the last digit. The v6 band origin is 687.176 03(62) cm-1, consistent with the infrared spectrum observed in the argon matrix. Anomalously large vibrational changes in the A rotational constant and the ΔK centrifugal distortion constant are accounted for by the a-type Coriolis interaction between the v6 and v10 states, where v10 is the CH2-rocking vibration.
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U2 - 10.1063/1.470422
DO - 10.1063/1.470422
M3 - Article
AN - SCOPUS:0000438487
VL - 103
SP - 6450
EP - 6458
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 15
ER -