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Polyester
[26161-42-2]
Fig. 12 Headline
of the tables.
Column Description
Spectral position of IR absorption bands, given in the wavenumber unit [cm1].
Intensity of IR absorption bands (see acronyms paragraph 2.1.6).
Spectral position of Raman bands, given as Raman shift in the unit [cm1].
Intensity of Raman bands (see acronyms paragraph 2.1.6).
Assignment to molecular bonds or structural units.
Comments to assignments and type of the vibrational modes (if available and necessary), listed
in an alphabetical order.
References to the bands, assignments and comments, listed by year of publishing.
Band Intensities
Band intensities, if available, were taken from the references. Usually the intensities are summarized as
weak, medium and strong bands. Shoulders arise from overlapping bands. Several references used the term
shoulder together with the term weak. Overlapping bands may be separated by sophisticated methods of
deconvolution or curve fitting. Fig. 13 shows the IR spectrum of LDPE in the range of the C-H deforma-
tion vibrations. The registrated absorption band (black curve) consists of three individual bands (dotted
curves). A weaker mode at 1440 cm1 appears as shoulder. The other two bands are merged together in
a broad band. The listed band intensities are relative to other bands in the spectrum.
Assignments
Assignments were taken as given in the references. In differences to some references the assignments of
vibrational modes of amide groups are general labeled as amide A, amide 1, etc. In several references
the different types of C-H deformation vibrations such as twisting rocking and wagging modes are sum-
marized under the general term deformation (). When the precise type of the vibration mode was not
mentioned or not known, the denotation as deformation mode was taken. Ring vibrations of aromatic com-
ponents are denoted with the symbol when a deformation mode is predominant. It should be also noted
that not all data of vibrational modes and their assignments were available in the literature. In some cases
bands are assigned to bonds or molecular units which do not exist in the structural formula. These bands
may arise from monomers, intermediates, impurities or from residual traces of solvents.
Symmetries
Since the molecular symmetry is important in vibrational spectroscopy few explanations will be given
shortly with regards to comments within the tables. For more details the reader is referred to basic litera-
tures on the theory of molecular symmetry. Vibrations of functional groups of a polymer chain can be
described by the so-called point groups. The point group theory means that during the vibration at least
one point in the molecule remains unaffected. Furthermore, for molecular units with some symmetry, point
group theory can be used to predict how many vibrational modes should appear in the IR and Raman
spectra. As different molecular symmetries lead to different numbers of IR and Raman active bands this
is a useful approach for determining the symmetry of a polymer chain. A vibration is IR active when
the dipole moment on going from the ground to the excited state is changed. Raman excitation occurs only
when there is a change in polarizability on going from the ground to the excited state. Among the numbers
of different types of symmetry few important examples are represented in Fig. 14.
In according to the common denotations [see 55IUP], the symbols indicate
Abbreviations
ar aromat
Fermi res. Fermi resonance
stretching vibration
as antisymmetric stretching vibration
s symmetric stretching vibration
deformation vibration
as antisymmetric deformation vibration, bending
s symmetric deformation vibration, bending
wagging vibration
as antisymmetric wagging vibration
s symmetric wagging vibration
Intensity of bands
sh shoulder
vw very weak
w weak
m medium
s strong
vs very strong
Comments
ads. adsorbed
aliphat. aliphatic
amorph. amorphous
aniso. anisotropic
aque. aqueous solution
ata. atactic
arom. aromatic
br. broad
chlor. trichlormethane solution
conf. configuration
copol. co-polymer
cryst. crystalline
Des Desmosine
deut. deuterium solution
G gauche form
hydb. hydrogen bonded
iso. isotactic
heterocyc. heterocyclic
hex. hexagonal
hum. human
Hypro Hydroxyproline
intramol. intramolecular
i.p. in plane vibration
i.ph. in phase vibration
Isodes Isodesmosine
mod. modification
molt. molten
o.p. out of plane vibration
o.ph. out of phase vibration
o-substituted ortho substituted
orth. orthorhombic
p parallel
Phe Phenylalanine
Pro Proline
pp perpedicular
p-substituted para substituted
res. resonance
sol. solution
semicryst. semicrystalline
syn. syndiotactic
streg. stereoregular
T trans form
tert. tertiary
tetra. tetrachlormethane solution
Tyr Tyrosine
References
95Kis Kister, G., Cassanas, G., Vert, M., Pauvert, B., Terol, A.: J. Raman Spectr. 26 (1995) 307.
98Kis Kister, G., Cassanas, G., Vert, M.: Polymer, 39 (1998) 267.