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Microwave spectrum, dipole moment and ab initio molecular structure of 2-aminopropenenitrile (CH2C(NH2)CN)

✍ Scribed by A. Bauder; T.-K. Ha

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
458 KB
Volume
97
Category
Article
ISSN
0009-2614

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✦ Synopsis

The nticroxwc spectrum of Luninopropenenitrile has been investigdtcd from IS to 58 Gllz. More ihcn 70 rotational transitions hdve been assigned for the ground and one exited vibrationd state. Rotational constants and centrifugal distortion constants were determined for these states. The electric dipole components pa = X76(2), pb = O-71(9) and ptotat = S.SS(S) D were deduced from Stark splitting. The molecular structures of the almost planar stable conformer and a 90" C=C twisted conformer were optimized bv ab initio calculationt. Additional information WJS obrained on the lower cxcited ekctronic Stdtcs.

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