Structure Data of Free Polyatomic Molecules
232
C2H3As
IR, DFT calculations
(B3LYP/6-311++G(3df,2pd))
rz
C≡As
C–C
C–H
Å a)
1.659(2)
1.467(2)
1.097(2)
re
C≡As
C–C
C–H
Å a)
1.658(2)
1.465(2)
1.091(3)
a
Ethylidynearsine
θz
C–C–H
H–C–H
θe
C–C–H
H–C–H
C3v
H3C–C≡As
deg a)
110.6(2)
108.3(2)
deg a)
110.6(2)
108.3(2)
) Estimated total errors.
Dréan, P., Bürger, H., Demaison, J., Boggs, J.E.: J. Mol. Struct. 485 (1999) 51.
II/25B(3, 642)
Landolt-Börnstein
New Series II/28B