The vibrational energy pattern in acetylene VII: (12)C(13)CH2.
In (12)C(13)CH(2) 129 vibrational term values up to 10,000 cm(-1) are merged, about 60% of which are newly reported. They are fitted using an effective Hamiltonian with a standard deviation of 0.22 cm(-1). The vibrational assignments and vibrational constants are listed and discussed. The energy pattern is found to be very similar to the one in (12)C2H2 with additional anharmonic resonances arising from the lack of u/g character in the asymmetric isotopolog.
Robert
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S
Service de Chimie Quantique et Photophysique CP 160/09, Université Libre de Bruxelles, Avenue Franklin D. Roosevelt, 50 B-1050, Bruxelles, Belgium.
Fayt
A
A
Di Lonardo
G
G
Fusina
L
L
Tamassia
F
F
Herman
M
M