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INTRODUCTIO N
1
INFRARED SPECTRA
modes called lattice modes of vibration result from the motion of one polyatomic group
relative to another within the unit cell. Lattice modes generally occur in the region
400-10 cm -1 and are characteristic of a specific crystal geometry. They can be used as
fingerprints for an inorganic compound in much the same way as the internal modes of
vibration of organic compounds are used in the region 4000-400 cm"1. The purpose of
this work is to present reference spectra and empirical spectra—structure correlations.
We do not intend to cover the theoretical aspects of the solid state. For this the reader is
referred to several excellent review articles and books (8~13).
EX P ERIMEN T A L
The mid-infrared spectra were scanned using a Beckman Model IR-9 and two Herscher-
Dow prism grating spectrometers in the region 3800-400 cm -1 and a Perkin-Elmer Model
225 in the region 3800-200 cm"1. Far-infrared spectra were scanned on a Beckman Model
IR-11 in the region 600-45 cm"1. Extensive descriptive material about the instrumentation
is given in several books (14~16).
The samples were prepared as mulls, using as mulling agents Fluorolube for the region
between 3800-1333 cm"1 and Nujol for the region between 1333-400 and 600-45 cm"1,
the technique hereinafter being referred to as a "split mull." In the mulling technique,
finely ground particles are suspended in the mulling agent and the slurry is supported be-
tween two infrared transmitting windows. Samples were not subjected to prolonged grind-
ing, but were treated in a routine manner, the grinding time seldom exceeding 10 minutes.
Mechanical grinding devices were not employed. BaF2 windows were used in the region
3800-1333 cm"1, AgCI in the region 1333-400 cm"1, and polyethylene in the region
600-45 cm"1. These window materials are inert to reaction with respect to most inorganic
compounds. Standard window materials such as potassium bromide, sodium chloride,
cesium bromide, and cesium iodide were found to be highly prone to ion exchange with a
number of inorganic compounds, and for this reason their use was avoided.
To illustrate the extent of ion exchange effects, pure samples of Pb(N0 3 ) 2 (verified by
X-ray diffraction) were prepared as split mulls on sodium chloride, potassium bro-
mide, cesium iodide, barium fluoride, and silver chloride plates. Spectra A and D
in Fig. 1 are of pure Pb(N0 3 ) 2 and NaN0 3 , respectively, scanned as split mulls between
BaF2 (3800-1333 cm"1) and AgCI (1333-400 cm"1) plates. Spectrum Β is a freshly pre-
pared Pb(N0 3 ) 2 split mull between NaCI plates, and spectrum C is the Nujol portion of
that mull 2 hours after preparation, having been in intimate contact with the NaCI plates.
The out-of-plane N03~ deformation of NaN0 3 which occurs at 838 cm -1 is clearly present
in spectra Β and C. The band intensity increases with contact time (spectra Β to C), in-
dicating the continuing formation of NaN0 3 by ion exchange between Pb(N0 3 ) 2 and the
NaCI plate. Similar reactions were observed between Pb(N0 3 ) 2 and KBr and Csl.
The potassium bromide pellet technique for preparing samples was strictly avoided.
Anomalies in the infrared spectra of inorganic compounds prepared by this technique
have been extensively studied. In addition to a possible cation exchange reaction with
KBr, the material under investigation may also undergo changes in crystalline form as a
result of the high mechanical pressures (10,000 psi) used in the pelleting process. Ex-
treme caution should be exercised when applying the potassium bromide pellet tech-
nique to obtain infrared spectra of inorganic compounds.
2
SPECTRA-STRUCTURE CORRELATIONS
based on the position in the periodic table of the central atom in the anion. Where there
is no central atom (e.g., CN~) the anions are arranged by lowest group; thus CN" falls
under C.
In grouping the anions by their central atom, these have been arranged in order of,
first, increasing group number, then increasing atomic number within a group: B, Al, C,
Si, N, P, O, S, F, CI, Br. In subarrangement under a given central atom, for example, N,
the anions are given in order of increasing number of Ν atoms in the anion: N3~, N24~, N3~,
etc. The polyatomic anions are arranged in orders of decreasing ratio of Ν atoms to other
atoms in the anion, such as N 2 0 2 2 ~, N0 2 , N0 3 . Under a specific anion, individual com-
pounds appear in the order of increasing atomic number of the cation within a given
group. For the nitrates (N0 3 ") the order is NH 4 N0 3 ; (Group I) NaN0 3 , K N 0 3 · · · CsN0 3 ;
(Group II) Ca(N0 3 ) 2 · · · Ba(N0 3 ) 2 ; (Group III) AI(N0 3 ) 2 ; (Group IV) Ga(N0 3 ) 3 ; etc.
Compounds containing the ammonium ion have been placed at the beginning of each such
grouping.
Two indices are provided. The first of these contains compounds as they appear in the
book in numerical sequence. The second index is arranged alphabetically by anion.
SPECTRA-STRUCTURE CORRELATIONS
Characteristic infrared frequencies and band intensities of the different anions are
summarized in Table 1 and Figs. 2 and 3. Frequency assignments for the fundamental
vibrations of complex anions taken from the literature are summarized in Table 2. The
assignment of the anion fundamental vibration is based on point group symmetry; the
anion usually belongs to the same point group in the solid phase, regardless of the space
group of the unit cell. In Table 2, the notation and numbering system of the fundamental
vibrations are taken from Herzberg (7). For a detailed discussion of group theory the
reader is referred to any one of several excellent texts (18-21). A, correlation chart for
metal oxides is given in Fig. 4.
The following paragraphs are devoted to a general résumé of the more common or
important structural information contained in Table 1 and a brief discussion of lattice
vibrations. For detailed information on individual groups reference should be made to
the publications listed in the bibliography.
Strong bands associated with OH stretching vibrations of water and hydroxyl groups
occur between 3200 and 3700 cm -1 . The hydroxyl group is characterized by a strong
sharp absorption band in the region 3650-3700 cm-1. Water of hydration usually exhibits
one strong sharp band near 3600 cm -1 and one or more strong sharp bands near 3400
cm-1. Water of hydration is easily distinguished from hydroxyl groups by the presence of
the H - O - H bending motion which produces a medium band (often multicomponent) in
the region 1600-1650 cm"1. Free water has a strong broad absorption band centered in
the region 3200-3400 cm"1; the H - O - H bending motion generally occurs near 1650 cm"1.
The OHH stretching vibration of HAs0 4 , HC03~, HS04", HP042~, etc., characteristically
exhibits a strong to medium-strong broad mültipeaked band often extending from 2000
to 3400 cm"1. This type of absorption is a distinguishing feature of the very acidic protons
of the salts and corresponding acids.
The NH 4 + group is characterized by a strong broad absorption centered near 3250
cm -1 resulting from NH 4 + antisymmetric stretching vibrations and a strong absorption
band near 1400 cm -1 resulting from an NH 4 + bending vibration.
Multiple bond stretching and metal-hydrogen stretching vibrations usually occur in
the region 1500-2500 cm -1 . The groups CN~, SCN", and OCN" exhibit a strong absorption
in the region 2000-2300 cm-1. The CN" group is characterized by one or more strong very
sharp absorption bands in the region 2000-2200 cm -1 . A strong sharp band in the region
2050-2200 cm"1 is characteristic of the SCN" group. The absorption band characteristic
3
INFRARED SPECTRA
of the OCN" group is strong but somewhat broader than the CN" or SCN" bands and
occurs near or above 2200 cm-1.
The NO stretching vibration of the NO" group gives rise to a strong band at 1940 cm"1.
Inorganic compounds containing the HP0 3 2 " and H2P02~ groups are readily character-
ized by medium to strong bands in the region 2300-2400 cm"1 often showing submaxima;
these bands arise from the P-H stretching vibrations.
Polyatomic anions of inorganic compounds show characteristic absorption bands in the
region 1500 300 cm -1 which result from stretching and bending vibrations. These char-
acteristic bands are summarized in Table 1 and Fig. 1. Table 2 gives the frequency assign-
ments of the fundamentals for many different anions, as summarized from the literature.
For a detailed discussion of the anion (point group) symmetry the reader is referred to
Nakamoto (22). In certain cases where there is high point group symmetry, T d , for ex-
ample, vibrations normally infrared inactive will often appear as a weak band; also doubly
and triply degenerate vibrations split into two and three components, respectively. These
effects result either from lowering of the point group symmetry or from factor group
splitting as a result of different crystalline environments.
Lattice vibrations can occur as high as 600 cm-1, but usually occur in the region below
300 cm"1. These vibrations are unique for a specific crystalline compound, and are useful
fingerprints for identification. Many inorganic compounds absorb only in this region of
the spectrum, particularly ionic metal halides, nitrides, silicides, tellurides, and heavy
metal oxides. Lattice frequencies can be correlated with crystal structure in an isomor-
phous series. For example, the lattice modes in the alkali halides which are cubic show a
decrease in frequency with increasing mass or atomic radius of the cation or anion.
Compare spectra* of the series of compounds:
Different crystalline forms of the same compound also show different lattice vibrations
as well as spectral differences at higher frequency in the region where the fundamental
vibrations occur in the spectrum. For example, SrP 2 0 7 exists in two crystal forms, the
α-form which is orthorhombic and the ß-form which is tetragonal (compare spectra 265
and 266). Other such cases appear in this compilation of infrared spectra.
The infrared spectra of crystalline polyatomic inorganic compounds usually show
more bands than can be assigned to fundamental vibrations and sum or difference tones
of the internal vibrations of the polyatomic ion. These other bands result from sum or
difference tones of the lattice modes with the internal fundamental vibrations of the
polyatomic ion.
REFERENCES
7. G. Herzberg, "Molecular Spectra and Molecular Structure." Part II. Van Nostrand-Reinhold,
Princeton, New Jersey, 1945.
2. R. N. Jones and C. Sandorfy, in "Chemical Applications of Spectroscopy" (W. West, ed.), Vol. I X ,
Chapter IV. Wiley (Interscience), New Y o r k , 1956.
3. A. B. F. Duncan, in "Chemical Applications of Spectroscopy" (W. West, ed.), Vol. I X , Chapter III.
Wiley (Interscience), New Y o r k , 1956.
4
REFERENCES
5
Fig. 1. Spectrum A : ( P b f N C ^ ^ . Spectrum D: NaNC>3. A and D are scanned as split mulls between BaF 2 (3800-1333 cm 1 ) and AgCI
(1333-400 cm - 1 ) plates. Spectrum B: P b ( N 0 3 ) 2 scanned as split mull between NaCI plates. Spectrum C: Nujol portion of Β 2 hours after preparation,
having been in contact with NaCI plates.
SPECTRA OXIDES
BORON
16 BORIC ACID
17 BO3
18· 22 B407 =
ALUMINUM
23 AIH 4 "
24- 25 AI02"
CARBON
27- 32 CN"
35 Fe ( CN )g -
36 Fe(CN) 5 NO
37--42 FelCNlgi
44.-45 OCN"
46 -51 SCN"
52 CN2 =
53- 55 S with Sub Mo»
HCO3- --
W-M W(Q.lor2)
56- 74 C0 3 =
Sp. Sub Max of Ρ
75 cs 3 =
SILICON
Si0 4 =
NITROGEN
SPECTRA
149-152 N0¿
CO(N02)6Î
W,Sp.(Oor I)
NO3-
Ce(N0j) =
Ce( NO3) =
PHOSPHORUS
MS(WSubMox) W ^Oor I ) S (of S/MDb) S(lor2) WtoM
204-210 H2P0 I
211-212 HPD 3 -
W,SpJ4_ WM W.Db
224-225
Bd
H2PO4
226-232 HPO4Ï S (of Db.) WtoM M(of Mult.) W(of Mult.)
234-259
S(of Mult.) M (of Db.)
P04=
260-277 S(of Mult.) WtoM ( o f Db) MtoS
P2071
28 0 PO3S =
P03F =
S M.Sp W, Bd
PO2F2-
I I
3400 3200 2800 2600 2400
I I 1
3400 3200 3000
COMPLEX
SPECTRA
HALOGEN
641 S
i 683 HF2-
w(lt031
6 4 2 · - 648 BF 4
649 - 6 5 1 AIF65
652 Go FÇ =
635 - 6 6 4 SiF6 =
( I or 2)
665 - 6 6 7 Ge Fe*
668 - 6 7 2 Sn F 3 "
( I or Mult.)
673 - 6 8 0 SnF6=
681 - 6 8 4 PFE"
685 AsFg
687 - 6 8 8 SbF6-
689 - 6 9 5 TiF6--
701 - 7 0 2 FeF6ï
706 - 7 0 9 ZRF 6 =
767 - 7 6 8 FECL 5 =
769 - 7 7 9 CuCl 4 =
771 MoCl6 =
S( I or Mult.)
772 - 7 7 4
775
PDCL4-
PdCl 6 =
i
S
777 - 7 7 8 PtCl4 =
I I I I I 1 I I I I I I 1 I I I I I I 1 I I I 1—
3400 3200 3000 2800 2600 2400 2200 2000 1900 1800 1700 1600 1500 1400 1300 1200 1100 1000 900 800 700 600 500 400 300
7
SPECTRA
818-828 BrOj -
S(wif h Olo4 WI0S) Sdo r Mult.) S£ .
68 8 68 9 IO4-
240 0 220 0
SPECTRA
1 0 0 - I II T1O5
112-12 1 ZrO j
S,B d or Mult. SjSp M.Mult.
122 - 129 SnO;
8 2 -8 8 3 U 2 07 *
δ OH 9 5 0 - 1000 ; ã OH 340 0
SPECTRA δ OH 1100 -1150 ; yOH 320 0
379 - 38 2 Sn(OH)g
K .
S.B d B d
38 3 -38 4 Sb(OH)¿
oW f SpD b
8 7 1 - 78 7 Mn04=
S.B d S.B d
78 8 - 8 0 Fe 2O4'
SPECTRA SULFIDE S
39 8 Bi W § S WW W
2S 3
39 9 TeS 2 .. .
40 3 nZ S _s_
405 MoS2 s
40 6 Ag2S S M W
407 ed S S
410 W S2 w
411 HgS S M W M W.S p
8
CM"1
150 0 140 0 130 0 120 0 110 0 100 0 90 0 80 0 70 0 60 0 50 0 40 0 30 0 20 0 100 0
31 6 L i2 0
31 7 MgO
31 8 CaO
S Sh S M
31 9 AI2O3
W W W S M W
32 0 ln2 0 3
W M
32 2 Si0 2
M M M MS MS W W
32 5 Ge0 2
M S
32 6 Sn O
MS S MS M_S M W W W W
32 7 Pb 30 4
S M S W
32 8 Sb 20 3
S MS
32 9 Sb 20 5
M S . S W W W
33 0 Te0 2
S S M_$ M W W M MS W W W W W
33 1 I2 0 5
_S _ MS W W
33 2 T i 02
S_ MS W W
33 3 v204
I _S_ M M W W W W W
33 5 v205
S MS .W SpW.S p W W
33 6 C r2 0 3
W S
33 7 MnO
_S_ _M_ M
33 8 M n 02
33 9 Fe 203 S M W S_ W W W W
34 0 Fe 304 S. S W £ W .
34 1 Co O
S. S. W W.S p W.S p W
34 2 Co 30 4
S W W W
34 3 Ni 2 0 3
S W,S p W
34 4 Cu20
W,S h S Sp Sp
34 5 CuO
Sh Sh _S _ Sh W W W W W
34 6 Zn O
M S S S MM W W W
34 7 Y2O3
_S _B d _Pilf_us e Sh Sh M M Sh W W W
34 9 Nb 2 05
W W W
35 1 Mo02
MSp S i WMS p M W W
35 2 MO0 3
S WS p
35 3 Ag20
W w w w
35 4 CdO
M M S M M
W W WS p W
35 5 H f 02
S . S . M Sh M W W W W W
35 7 WO3
S M W W W W W W W W W W .S p
35 8 HgO
S W W W
35 9 Ce0 2
Sh S Sh Sh W W
36 0 Sm 203
M. M § S M M W W .W S p
36 1 Dy 203
M M $ h S M M W W W W
36 2 Ho203
M M S S W W
36 3 E r2 0 3
M M S M M W .W S p W
36 4 Yb 2 03
S W W * W
36 5 Th02
S W W
36 6 U0 2
Sh S Sh S Sh S W W W W W W
36 7 U3O8 ( O r t h o r h o m b i c)
Sh S S S W W W
36 8 U308 (Hexagonal )
S S W W M
W .Sp W
36 9 Sr0 2
S S S W
37 0 Zn0 2
J I L
150 0 140 0 130 0 1200 1100 1000 90 0 80 0 70 0 600 50 0 40 0 30 0 20 0 100
CM"1
9
Table 1. Characteristic Frequencies for Inorganic Ions
Boron
boride 1-15 60-100 bd
tetraborate 18-22 1340-1480 s t g (SMAX), 1100-1150 wk-bd ( O D ) , ÎOOO-
1050 w k - b d ( O D ) , 9 0 0 - 9 5 0 w, - 8 2 5 wk, 5 2 0 - 5 4 5 wk,
5 0 0 - 5 0 5 wk, 4 5 0 - 4 7 0 wk
Aluminum
AIH4" tetrahydroaluminate 23 V 1785 stg, - 1 6 4 5 m, 710 m bd
A102" aluminate 24-25 800-920 m bd, 6 2 0 - 6 7 0 wk 5 1 5 - 5 6 0 wk, 4 5 0 - 4 8 0 wk,
3 7 0 - 3 8 0 wk
Carbon
carbide 26 No correlation
CN~ cyanide 27-33 2130-2230 s t g (SD)
Fe ( C N ) e ferricyanide 35 - 2 1 4 0 and -395
Fe ( C N ) 5 NO 2 - nitroferricyanide 36 2130-2170 wk-m(m), -1929 stg
Fe(CN)6 4 " ferrocyanide 37-42 2020-2130 s t g (SM), 5 8 0 - 6 1 0 wk, 4 1 0 - 5 0 0 wk
OCN~ cyanate 44-45 2180-2250 s t g , 590-630 m
SCN" thiocyanate 46-51 2040-2160 s t g , 420-490 (OD) separated by 13-33 cm' 1
CN22- cyanamide 52 -2000 s t g , -1935 s t g , -1300, -1215, -640, -630
HC03"" bicarbonate 53-55 2 0 0 0 - 3 3 0 0 bd (SMAX), 1 8 4 0 - 1 9 3 0 wk b d , 1 6 0 0 - 1 7 0 0 s t g (SMAX),
9 4 0 - 1 0 0 0 m b d , 8 3 0 - 8 4 0 m, 6 9 0 - 7 1 0 m, 6 4 0 - 6 7 0 wk
co.2- carbonate 56-74 1 3 2 0 - 1 5 3 0 s t g ( O D ) , 1 0 4 0 - 1 1 0 0 wk (OD), 8 0 0 - 8 9 0 wk-m.
6 7 0 - 7 4 5 (owk or WD)
thiocarbonate 75
-931 stg, -910 stg, - 5 1 8 wk
Silicon
sil icide 76-86
6 0 - 1 1 0 bd
orthosilicate 89-93 860-1175 s t g (SMAX), 470-540 stg
Titanium
Ti03 titanate (IV) 100-111 500-700 s t g bd, 360-450, 2 0 0 - 4 0 0 bd (SMAX)
Zirconium
Zr03 zirconate (IV) 112-121 700-770 ( o w k ) , 500-600 s t g , 300-500 stg (SMAX),
2 3 0 - 2 4 0 wk
Tin
122-129 600-700 s t g bd, 300-450
Nitrogen
n i t r i de 130-141 No correlation
N3" azide 142-147 3150-3400 wk-m (OD), 2025-2150 stg, 620-660 wk-m (OD or M)
N02" nitrite 149-152 1170-1350 stg (OD), 820-850 wk (OD or M)
NO3- nitrate 154-191 1730-1810 wk sp (SM), 1280-1520 stg (OD or M ) , 1020-
1060 (owk) sp, 800-850 (W-M) sp, 715-770 wk-m* (OD)
Ce(N0 3 ) e hexanitrocerate (IV) 197-199 1465-1550 stg, 1275-1300 stg, 1030-1045 m, 800-
820 m, 740-750 m
Phosphorus
phosphide 200-203 No correlation
H 2 PO 2 " hypophosphite 204-210 2300-2400 m-stg (SMAX 2200-2430), 1950-1975 (owk),
1140-1220 stg (OD), 1075-1102 wk sp (OD), 1035-
1065 wk sp (OD), 800-825 m-stg, 440-510 wk-m
HP0 3 2- orthophosphite 211-212 2340-2400 m stg, 1070-1120 stg, 1005-1020 wk sp,
970-1000 m, 570-600 wk m, 450-500 wk (D)
P03- metaphosphate 214-223 1200-1350 stg, 1040-1150 m-stg, 650-800 wk-stg (M) ,
450-600 w-m (M)
H 2 PO 4 - orthophosphate 224-225 -2700 wk bd, -2400 wk bd, -1700 bd, -1250 bd, -IIOO bd,
(mono-basic) -900 bd, 530-560, -450
HP0 4 2 ~ orthophosphate 226-232 2750-2900 wk bd, 2150-2500 wk bd, 1600-1900 wk bd,
(dibasic) 1200-1410 w-m, 1040-1150 stg (OD), 950-1110 wk-m,
830-920 wk-m, 530-570 m (OM), 390-430 wk (OM)
P043 orthophosphate 234-259 940-1120 stg (OM), 540-650 m (OD) (A1P04 is an
exception, see 240)
P2O7 4 " pyrophosphate 260-277 1100-1220 stg (OM) , 960-1060 wk-m (OD and 0 sp) ,
850-980 m, 705-770 w-m, 545-580 m stg (m 500-600)
PO3 S3 - phosphorothioate 280 -1050, -945, -500
PO3F 2 " phosphorofluoridate 281-283 1010-1080 stg, 1000-1020 m sp, 900-950 wk bd,
700-770 m, 525-540 m stg
P02F2- phosphorodifluoridate 284 ~1315 stg, -1150 stg, -800 stg, -500 stg
Arsenic metaarsenite 286-288 450-860 (M with no apparent correlations)
As0 2 -
As0 3 2- orthoarsenite 289-293 700-840 stg
As2074- pyroarsenate 294 750-880 stg (M), -540 m, -400 stg
HAs042" orthoarsenate 296-297 -840 stg, 720-740 m, -400
dibasic
As0 4 3 - orthoarsenate 298-303 770-850 stg (OM or SMAX)
Table 1. (continued)
t(o = often); (owk)= o f t e n weak, but not always detected; (D) = doublet
wk = weak, m = medium, stg = strong, bd = b r o a d , sp = s h a r p , (SD) = sometimes doublet, (OD) = often doublet, (M) = multiple,
(SM) = sometimes multiple), (SMAX) = with submaxima.
*Band at -721 results from Nujol.
Table 2. Fundamental Vibrations of Inorganic Ions
Point
Element Formula Ion Spectra group Vibrations Reft
Aluminum
A I H 4 " tetrahydroaluminate 23 T Vi ) 1790, i/2(e) 799, v 3 ( f 2 ) 1740, 1/4(f2> 764 (1)
d
Carbon
CN~ cyanide 27-33 ^CsN (2080-2239) (2)
Fe(CN)e 3 - ferricyanide 35 y e (fi u ) 2105, y 7 (f l U ) 511 w, 1460 vw, v Q (fa u ) 387 st. (3)
°h
Fe(CN)e NO2" n i t r o f e r r i c y a n i d e 36 C4v
IR a l 2173, 2163, 1945, 653, 4 6 8 , 408 a2 - (4)
^ 2157, b2- e 2 1 4 5 , 663, 4 2 4 , 4 1 7 , 321
Raman a1 2174, 2162, 1947, 656, 493, 4 7 2 , 4 0 8 , 123
^ 2157, 410 e 2 1 4 4 , 4 2 2 , 4 1 5 , 164, 100
4
Fe ( C N ) e - ferrocyanide 37-42 i/6 ( ) 2021 and 2033, i/7 ( ^ u ) 585s, i/e(fiu) 414m ( 3 )
°h
OCN" cyanate 44-45 V i ( Z * ) 1 2 9 2 . 6 and 2 y 2 ( E + ) 1 2 0 5 . 5 i n Fermi Resonance, (5)
C »v
v 2 ( n ) 629.4, ι/3(Σ+) 2169.6
2
C N 2 - cyanamide V I ( L G ) 8 6 0 , 2 1 0 , V ( ^ ) 9 3 0
3 G
52 D i/2(tru) (7)
«h
C03 2 "" carbonate 56-74 V\ ( a1' ) 1087, 1/ 2 ( a 2 ) 874, v 3 ( e ) 1432, i/4(e') 706 (8)
°3h
2
C S 3 - thiocarbonate 75 IR Vi (a 1 t ) 4 8 8 - 5 2 0 , t/ 2 (al¿) 325, v 3 (e ) 920, ( 9 )
D3h
i/4(e ' ) 475-520
Raman 516, 510, 4 2 0 , 325
Silicon
Si044"* orthosilicate 89-93 T Vl (a 1 ) 800, i/2(ç) 500, i/3(f2) 1050, i/4(f2> 625 (10)
d
Titanium
Ti032"" titanate(IV) 100-111 vi (f i u ) -540 be, i/2(fa u ) - 4 0 0 bd (11)
°h
Nitrogen
N3" a z i de 142-147 D . Vi O f ) 1344, I/2(TRU) 645, ^ ( E * ) 2041 (12)
«h
N O 2 " nitrite 149-152 Vi {73^ ) 1320-1365, i/2(aa) 807-818, v 3 ( b i) 1221-1251 (13)
D2V
PO4 3 orthophosphate 234-259 Raman Vl (ax ) 935, y 2 (e) 420, v 3 ( f 2 ) Ю 8 0 , t/4(f2) 550 (18)
P2CV pyrophosphate 260-277 (a^) 1212, 909, 477, (a2') 1165, 940, 553 (e M ) 999, (19)
"3h 573, 432, (e') 1124, 707, 615, 201
Divalent salts have lesser symmetry
S03 sulfite 424-428 u 1^(24) 1010, 1/2(аг) 633, i/3(e) 961, i/4(e) 496 (24)
3v
9 3
S 0 4 2- sulfate 431-499 Vl (a 1 ) 9 8 3 , v 2 ( e ) 450, f 3 ( f 2 ) 1105, t/4(f2) » (18)
Selenium
selenite 517-520 vx (% ) 8 0 7 , v 2 ( a l ) 4 3 2 , i / 3 ( e ) 737, t/4(e) 374 (25)
aeu 3 ~3v
8 7 (18)
Se042" selenate 522-530 Vl (a, ) 8 3 3 , ty2(e) 3 3 5 , v 3 ( f 2 ) 5 , v4(f2) 432
Chromium
СггО, 2 " dichromate 542-549 (а г , а 2 , Ц , b 2 ) 9 2 4 - 9 6 6 , (а г ) 9 0 0 - 9 1 0 , ( Ц ) 8 8 0 - 8 9 2 , (26)
°2v ( Ц ) 7 6 0 - 7 8 0 , (a a ) 5 5 0 - 5 7 0 , ( а т , а 2 , Ц , b 2 ) 3 6 5 ,
( ^ ) 220
PdCl42~ tetrachloropaliadate 771-773 (a2u) 170, (eu) 334 (Lattice 120, 111 and 95) (33)
°4h
PdCle 2~ hexachloropalladate(IV) 774 O h Raman Vi ( A l g ) 317, i/2(Eg) 292, i/s(f2g) 164 (34)
C I O 3 " chlorate 779-782 í ¾ (a1 ) 910, l / 2 ( a 1 ) 617, i/3(e) 960, i/4(e) 493 (37)
C3v
Br03~ bromate 818-827 C3v ui (a x ) 806, i/ 2 (a 1 ) 421, 1/3(e) 836, i;4(e) 356 (39)
I O 3 " iodate 853-866 Vl (a1 ) 779, 1^2(24) 390, 1/3(0) 826, y4(e) 330 (40)
C3v
I O 4 " periodate 867-868 Td v x (^ ) 791 , i / 2 ( e ) 256, i/3(f2) 853, i/4(f2) 325 (18)
2 manganate 1/3 - 8 4 0
Mn04 ~ 870 (41)
M 1 1 O 4 " permanganate 871-876 T v x (a1 ) 840, V 2 ( e ) 340-350, i > 3 ( f 2 ) ~900, i>4(f2) ^387 (42)
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