Abstract
The spectrum of allene-1 . 1-
d
2
in the range 3 to 20
μ
has been measured using high resolving power. An analysis of several parallel-type bands has given values for
B
0
which agree closely with that obtained from the rotational Raman spectrum (0∙2619 cm
–1
). In assigning the perpendicular bands to particular vibrations, some characteristic details of their rotational structure arising from the slight asymmetry have been taken into account. From a rotational analysis of four perpendicular bands it has been possible to derive a value for (
A
0
─
B
0
), from which
A
0
is obtained. Using
B
0
values for allene, allene-
d
2
and allene-
d
4
, and the new value for
A
0
of allene-
d
2
, the geometrical parameters have been calculated, namely,
r
0
CH
= 1∙080 Å,
r
0
cc
= 1∙308 Å, and ∠HCH = 119°. Some of the perpendicular bands at longer wavelengths illustrate a special type of Coriolis interaction between
B
1
and
B
2
class vibrations, and the results are in general accord with Nielsen’s theory of this effect.
Cited by
24 articles.
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