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MAGNETIC CIRCULAR DICHROISM OF LANTHANIDE PERCHLORATES IN AQUEOUS SOLUTION

Literature on MCD spectra of aqueous lanthanide perchlorate solutions is extensive (Antipovakarataeva et al., 1982; Go¨rller-Walrand, 1981; Go¨rller- Walrand and Beyens, 1980; Go¨rller-Walrand and Binnemans, 1998; Go¨rller- Walrand and Godemont, 1977a,b; Go¨rller-Walrand et al., 1979, 1980, 1982a, b; Kato and Nishioka, 1974; Kato et al., 1976; Pink, 1975; Sage et al., 1979).

On the other hand, a consistent set of absorption spectra for the lanthanides in aqueous HClO4 solution has been given (Carnall, 1979). The MCD spectra shown in Figure 27 provide useful complementary information to these previously reviewed absorption spectra for 10 trivalent Lnions and form to our knowledge the first complete set of MCD data throughout the lanthanide series in aqueous perchlorate solutions.

The solutions were prepared from the commercially available hydrated perchlorates by dissolving a known amount of salt in deminer- alized water. Concentrations were determined by titration following the Flaschka method (Carnall, 1979; Carnall et al., 1965, 1968). The absorption spectra were measured at room temperature on a Shimadzu spectropho- tometer (spectral bandwidth: 0.2 nm). All MCD spectra were recorded at room temperature on a Aviv 62 DS dichrometer (spectral bandwidth 0.1 nm (<7700 nm) and 0.2–0.4 nm (>700 nm), equipped with an electromag- net (Oxford Instruments) to provide a magnetic field of 1 tesla.

Tables 2–11 list all bands according to the classification of Carnall (1979). Peaks with molar absorptivitye<0.2 l mol1cm1are not listed unless they give rise to a MCD signal.

Energy (cm1)

21,600 21,550 21,500 19,100 19,050 19,000 18,950 Energy (cm1)

Arbitrary units

5D2 7F0 5D1 7F0

FIGURE 26 Simulated MCD spectra for the5D1,2 7F0transitions for Eu3þinC4v.

600 550 500 450 400 350

300 250

40,000 0 3 6 9

12 3P2

3P1 3P0

3H4

1D2 1I6

nm MCD

Δe/H (102 l mol1 cm1 tesla1)

Energy (cm−1)

e (l mol1 cm1) Absorption

−15

−12

−9

−6

−3 0 3 6 9 12 15

Pr3+

35,000 30,000 25,000 20,000 15,000

600 550 500 450 400 350

300 250

40,000 0 2 4 6

2F7/22F5/2 2D5/2 2D3/2 4D7/2

4D1/2 4D5/2 4

D3/2

2D3/2 4G11/2 2P1/2

2G9/2 2K15/2

(2D,2F)3/2 4G9/2

4G7/2 2G7/2 4G5/2 2H11/2

4I9/2 nm MCD

Energy (cm−1) Absorption

8.0

6.4

4.8

−3.2

−1.6 0.0 1.6 3.2 4.8 6.4 8.0

Nd3+

Δe/H (102 l mol1 cm1 tesla1) e(l mol1 cm1)

35,000 30,000 25,000 20,000 15,000

700

10,000 15,0000

3 6 9 12

4F3/2

4F5/2

2H9/2

4S3/2

4F7/2

4F9/2

4I

9/2

nm MCD

Absorption

25

20

15

10

5 0 5 10 15 20 25

Nd3+

Δe/H (102 l mol1 cm1 tesla1)

Energy (cm1) e (l mol1 cm1)

750 800 850 900 950

600 550 500 450 400 350

300

40,000 0.0 0.7 1.4 2.1 2.8

4H7/2 (4D,6P)5/2

4L15/2

6H5/2

4P5/2 4P3/24G5/2

4D7/2 4H9/2 4D3/2

6P7/2 4L13/2

(6P,4P)5/2 4G9/2

4I13/2 4M15/2 4G7/2

nm MCD

Absorption

−3.0

−2.4

1.8

−1.2

−0.6 0.0 0.6 1.2 1.8 2.4 3.0

Sm3+

6P3/2

Energy (cm−1) Δe/H (102 l mol1 cm1 tesla1)e (l mol1 cm1)

250

35,000 30,000 25,000 20,000 15,000

FIGURE 27 Continued

600 550 500 450 400 350

300 250

40,000 0.0 0.6 1.2 1.8 2.4

5G4

5K6 5F4

5H6

5H4

5G4,6 5G2

5D2

5L6 7

F0

5D1 5D4

(3K,3I)6

(5I,5H)6

nm MCD

Absorption

1.2

−0.9

0.6

0.3 0.0 0.3 0.6 0.9

1.2 Eu3+

35,000 30,000 25,000 20,000 15,000

Energy (cm−1) Δe/H (101 l mol1 cm1 tesla1)e (l mol1 cm1)

285 280

275

36,500 36,000 35,500

37,000 0.0 0.5 1.0 1.5 2.0

2.5 6I15/2

6I13/2 6I11/2

6I17/2 6I9/2

6I7/2

8S7/2 nm MCD

Energy (cm−1) Absorption

15

12

9

6

3 0 3 6 9 12 15

Gd3+

Δe/H (102 l mol1 cm1 tesla1)e (l mol1 cm1)

300

33,000 0.0

0.1 0.2 0.3 0.4

6P5/2 6P7/2

8S

7/2 nm MCD

Absorption

5

4

3

2

1 0 1 2 3 4 5

Gd3+

32,500 32,000 31,500

305 310 315

Δe/H (103 l mol1 cm1 tesla1)

Energy (cm1) e (l mol1 cm1)

600 550 500 450 400 350

300 250

40,000 0.0 0.2 0.4 0.6 0.8

5K9 5I6

5I7 5I8

5H6 5H7

5D1

5L9 5L10 5G5

5G6 5D3

5D4

7F6 5L7,5L8

nm MCD

Absorption

5

4

3

2

−1 0 1 2 3 4 5

Tb3+

Δe/H (103 l mol1 cm1 tesla1)

Energy (cm1) e (l mol1 cm1)

35,000 30,000 25,000 20,000 15,000

FIGURE 27 Continued

600 550 500 450 400 350

300 250

15,000 20,000

25,000 30,000

35,000 40,000

0.0 0.6 1.2 1.8 2.4

(4P,4F)3/2 (4G,4P)5/2

(4G,4P)5/2

(4F,4D)5/2 (4P,4D)3/2

(4G,4H)7/2 4D7/2

6P3/2

6P7/2 4M19/2 4F7/2

4G11/2 4I15/2

4F9/2

6H15/2

4I13/2

4F3/2

4K17/2

nm MCD

Absorption

6.0

4.8

3.6

2.4

1.2 0.0 1.2 2.4 3.6 4.8 6.0

Dy3+

Δe/H (102 l mol1 cm1 tesla1)

Energy (cm−1) e (l mol1 cm1)

1000

15,000 0.0 0.6 1.2 1.8

2.4 6

F5/2

6H

15/2

6F3/2 nm

MCD

Absorption

6.0

4.8

3.6

2.4

1.2 0.0 1.2 2.4 3.6 4.8 6.0

Dy3+

10,000 5000 2000

2000 3000 4000

Δe/H (102 l mol1 cm1 tesla1)

Energy (cm−1) e (l mol1 cm1)

600 550 500 450 400 350

300 250

40,0000 1 2 3 4

5D3

(3H,5D,1G)4 (5G,5D,3G)4

(3F,3H,3G)4

(5G,3H)5 (5G,3G)5

3I7 3L8,3M10

nm MCD

Absorption

10

8

6

−4

2 0 2 4 6 8 10

Ho3+

35,000 30,000 25,000 20,000 15,000

Δe/H (102 l mol1 cm1 tesla1)

Energy (cm−1) e (l mol1 cm1)

3K6

3L9,5G3 3K75G4

3H6 5G6

5F3

5F4 5I

8 5F5 5S2 5F2

3K8

200

50,0000 1 2 3 4

(3H,3G,3I)5 (3H,1I)6

(3F,5D)4

5I8

(3F,5D)3

5D2 nm MCD

Absorption

10

8

6

4

2 0 2 4 6

8 Ho3+

Δe/H (102 l mol1 cm1 tesla1)

Energy (cm1) e (l mol1 cm1)

45,000 40,000

210 220 230 240

FIGURE 27 Continued

40,0000 2 4 6 8 4D7/2

2D5/2 2K13/2

4G9/2 4G11/2

4F3/2 4F5/24F7/2 2H11/2

4S3/2 4F9/2 4I15/2

2G7/2 4D7/2

(2H,2G)9/2

nm MCD

Absorption

10

8

6

4

2 0 2 4 6 8 10

Er3+

35,000 30,000 25,000 20,000 15,000

Δe/H (102 l mol1 cm1 tesla1)

Energy (cm−1) e (l mol1 cm1)

600 550 500 450 400 350

300 250

(2G,4F,2H)9/2

40,000 0.0 0.6 1.2 1.8 2.4

3P2 3P1

3P0 1D2

1G4

3H6

3F2 1I6

nm MCD

Absorption

−2.0

1.6

−1.2

−0.8

−0.4 0.0 0.4 0.8 1.2 1.6 2.0

Tm3+

35,000 30,000 25,000 20,000 15,000

600 550 500 450 400 350

300 250

Δe/H (102 l mol1 cm1 tesla1)

Energy (cm−1) e (l mol1 cm1)

In the tables, ymax=H and Demax=H¼ ð1=3298Þðymax=HÞ correspond to the difference between the extrema. Note that the values in the tables have to be multiplied by the factor that is given in the headings, so that, for example, for the 1D2 3H4 transition of Pr(ClO4)3) (Table 2) P¼3.08106,ymax=H¼1.65102mol1dl dm1tesla1 and Demax=H¼5:00102 l mol1cm1tesla1. Another example is the transition 5D1 7F0for Euthat will be used in Section 8,5for the calculation of a MCD standard:

P¼1.62108,ymax=H¼40:3 mol1dl dm1tesla1andDemax=H

¼1:22102 l mol1cm1tesla1.

The sign of A terms or pseudo-A terms is given with respect to the previous conventions (Section 2.2). When no A shape is found, only the sign of the MCD dispersion is given; (þ) and () correspond,

1000

15,000 0.0 0.6 1.2 1.8 2.4

nm MCD

2.0

1.6

1.2

0.8

0.4 0.0 0.4 0.8 1.2 1.6 2.0

Tm3+

3F3

3H4

3H6

10,000 5000 2000

Δe/H (102 l mol1 cm1 tesla1)

Energy (cm1) e (l mol1 cm1)

2000 3000

FIGURE 27 MCD and absorption spectra of rare-earth perchlorates in aqueous solution.

5 Note that a population factor of 65% for7F0and 35% for7F1is taken into account.

Transition n(cm1) l(A˚ ) 106P Mechanism

SignA term

emax

(l mol1cm1)

(mol1dl dm1tesla1)

(l mol1 cm1tesla1)

1D2 3H4 16,840 5938 3.08 ED þ 1.75 1.65 0.500

3P0 3H4 20,750 4819 2.54 ED 4.26 5.72 1.733

3P1,1I6 3H4 21,300 4695 7.63 ED 4.59 1.15 0.348

3P2 3H4 22,520 4440 15.06 ED þ 10.25 12.01 3.639

Transition n(cm1) l(A˚ ) 106P Mechanism SignAterm emax

(l mol1cm1)

(mol1dl dm1tesla1)

(l mol1cm1 tesla1)

4F5/2 4I9/2 12,480 8012

8.84 ED þ 5.78 3.45 1.045

2H9/2 4I9/2 12,590 7942

EDþMD þ 11.20 28.87 8.748

4F7/2 4I9/2 13,500 7407 8.90 EDþMD þ 6.64 8.61 2.609

4S3/2 4I9/2 13,500 7407

ED 5.29 6.40 1.939

4F9/2 4I9/2 14,700 6803 0.65 EDþMD þ 0.43 0.66 0.200

2H11/2 4I9/2 15,870 6301 0.15 ED

4G5/2 4I9/2 17,300 5780

9.76 EDþhyp 6.34 4.79 1.452

2G7/2 4I9/2 17,300 5780

4G7/2 4I9/2 19,160 5219 EDþMD þ 4.12 5.98 1.812

2K13/2 4I9/2 19,550 5115 7.01 ED 1.50

4G9/2 4I9/2

EDþMD

2K15/2 4I9/2 21,000 4762

2.33

ED þ 0.60 0.86 0.261

2G9/2 4I9/2 21,300 4694 EDþMD 0.64 0.59 0.179

(2D,2F)3/2 4I9/2 21,300 4694 ED

4G11/2 4I9/2 21,650 4619 9>

>=

>>

; EDþMD þ 0.43

2P1/2 4I9/2 23,250 4301 0.41 ED 0.94 1.18 0.358

2D5/2 4I9/2 23,900 4184 0.09 ED þ

(2P,2D)3/2 4I9/2 26,300 3802 0.03 ED þ

4D3/2 4I9/2 28,300 3533

9.42

ED 4.74 1.92 0.582

4D5/2 4I9/2 28,500 3509 ED 2.21

4D1/2 4I9/2 28,850 3466 9=

; ED 3.44 1.18 0.358

4D7/2 4I9/2 30,500 3279 EDþMD 0.56

2D3/2 4I9/2 33,400 2994 ED 0.31

2D5/2 4I9/2 34,450 2903 ED þ 0.16

2F5/2 4I9/2 38,506 2597 ED 0.14

Transition n(cm1) l(A˚ ) 106P Mechanism

SignA term

(l

mol1cm1)

(mol1dl dm1tesla1)

(l mol1 cm1tesla1)

4G7/2 6H5/2 20,050 4987 0.52 EDþMD

4M15/2 6H5/2 20,800 4808 1.53 ED

4I11/2 6H5/2 21,100 4739 1.53 ED þ 0.55 0.395 0.120

4I13/2 6H5/2 21,600 4630 0.68 ED þ 0.50 0.639 0.194

4G9/2 6H5/2 22,700 4405 0.39 ED þ

(6P,4P)5/2 6H5/2 24,050 4158 EDþMD 0.41 0.300 0.091

4L13/2 6H5/2 24,570 4070 0.43 ED þ 0.54 0.396 0.120

6P3/2 6H5/2 24,950 4008 3.84 EDþMD 3.02 2.98 0.903

4L15/2 6H5/2 25,650 3899 0.42 ED þ 0.22 2.75 0.833

6P7/2 6H5/2 26,750 3738 1.06 EDþMD þ 0.59 0.245 0.074

4D3/2 6H5/2 27,700 3610 1.23 EDþMD 0.68 0.387 0.117

(4D,6P)5/2 6H5/2 27,700 3610 1.23 ED þ

4H7/2 6H5/2 28,250 3540 0.06 EDþMD

4H9/2 6H5/2

29,100 3436 0.80 EDþMD þ 0.44 0.288 0.087

4D7/2 6H5/2

4G5/2 6H5/2 30,200 3311 EDþMD þ

4P3/2 6H5/2 31,550 3169 EDþMD 0.28 0.095 0.029

4P5/2 6H5/2 32,800 3049 ED

Transition

n

(cm1) l(A˚ ) 108P Mechanism

SignA term

emax

(l mol1cm1)

(mol1dl dm1tesla1)

(l mol1cm1tesla1)

5D0 7F1 16,920 5910 7.47 MD þ

5D1 7F1 18,691 5350 2.49 ED

5D1 7F0 19,028 5255 1.62 MD þ 0.113 0.403 0.122

5D2 7F1 21,164 4725 0.90 MD

5D2 7F0 21,519 4647 2.29 EDþhyp 0.0500 0.123 0.0370

5D3 7F1 24,038 4160 8.94 ED

5D3 7F0 24,408 4097 ED

5L6 7F0 25,400 3937 214.98 ED þ 3.41 7.97 2.42

5L7 7F1 25,974 3850 ED þ 0.340

5G2 7F0 26,300 3802 ED 0.320

5G5 7F1 26,325 3799 ED þ

5G4 7F0 26,620 3756 ED þ 0.420 1.52 0.461

5D4 7F1 27,300 3663 11.82 ED

5D4 7F0 27,641 3614 20.60 ED 0.730 3.51 1.06

5H7 7F1 30,656 3262 46.51 ED

5H4 7F0 31,250 3200 ED

(continued)

Transition

n

(cm1) l(A˚ ) 108P Mechanism

SignA term

emax

(l mol1cm1)

10 ðymax=HÞ (mol1dl dm1tesla1)

10 ðDemax=HÞ (l mol1cm1tesla1)

5H5,6 7F1 31,200 3205 ED

5H6 7F0 31,520 3172 79.90 ED þ 1.20 3.90 1.18

5F3 7F1 32,800 3048 13.15 ED

5F2 7F0 33,190 3013 ED

5F4 7F1 33,280 3005 ED

5F4 7F0 33,590 2977 ED 1.30 4.70 1.42

5I4 7F1 33,590 2977 ED

(5I,5H)6 7F1 34,100 2932 ED

(5I,5H)6 7F0 35,050 2855 ED þ 0.590 1.87 0.567

5I7 7F1 35,050 2855 ED þ

5K5 7F1 35,925 2784 ED

5K5 7F0 36,205 2762 ED

5K6 7F1 37,100 2695 7.39 ED þ

5K6 7F0 37,440 2671 23.16 ED þ 0.560 1.73 0.524

5F7 7F1 38,060 2627 ED þ

5G23 7F1 38,640 2588 55.44 ED

(3I,3K)6 7F0 39,062 2560 12.19 ED þ 0.360 1.34 0.406

5G4 7F0 39,897 2507 ED 0.810 1.03 0.312

5G5 7F1 40,100 2494 ED

Transition n(cm1) l(A˚ ) 106P Mechanism

SignA term

emax

(l mol1cm1)

(mol1dl dm1tesla1)

(l mol1cm1tesla1)

6P7/2 8S7/2 32,196 3106 0.073 MDþhyp þ 0.14 0.162 0.049

6P5/2 8S7/2 32,722 3056 0.041 EDþMD þ

6I7/2 8S7/2 35,932 2783 0.121 ED þ 0.24 1.42 0.430

6I9/2 8S7/2 36,232 2760 0.845 EDþMD þ 0.74 3.13 0.950

6I17/2 8S7/2 36,337 2752 ED þ 1.80 8.06 2.442

6I11/2 8S7/2 36,536 2737

1.914 ED þ 1.12 6.47 1.961

6I13/2 8S7/2 36,576 2734

6I15/2 8S7/2 36,697 2725 þ 2.81 11.30 3.424

6D9/2 8S7/2 39,620 2524 0.078 EDþMD

Transition n(cm1) l(A˚ ) 106P Mechanism

SignA term

emax

(l mol1cm1)

(mol1dl dm1tesla1)

(l mol1 cm1tesla1)

5D4 7F6 20,500 4878 0.52 EDþhyp þ 0.029 0.37 0.112

5D3 7F6 26,268 3807

8.46

ED

5G6 7F6 26,500 3773 EDþMD 0.16

5L10 7F6 27,100 3690 9=

; ED þ 0.25 0.282 0.085

5G5 7F6 27,800 3597

7.46

EDþMD

5D2 7F6 27,800 3597 ED

5L9 7F6 28,400 3521 9=

; ED þ 0.22 0.188 0.057

5L8 7F6 29,300 3413

3.04 ED

5L7 7F6 29,450 3395

ED

5D1 7F6 30,650 3262 0.37 ED þ 0.023 0.074 0.022

5H7 7F6 31,600 3164 2.02 EDþMD

5H6 7F6 33,000 3030 1.20 EDþMD

5H5 7F6 33,900 2950 0.18 EDþMD

5I8 7F6 35,200 2840 5.05 ED 0.20

Transition n(cm1) l(A˚ ) 106P Mechanism

SignA term

emax

(l mol1cm1)

(mol1dl dm1tesla1)

101 ðDemax=HÞ (l mol1cm1tesla1)

6F5/2 6H15/2 12,395 8068 1.55 ED þ 1.76 4.72 1.427

6F3/2 6H15/2 13,250 7547 0.33 ED þ 0.31 1.07 0.324

4F9/2 6H15/2 21,100 4739 0.21 ED

4I15/2 6H15/2 22,100 4525 0.44 EDþMD þ 0.23 0.32 0.097

4G11/2 6H15/2 23,400 4273 0.16 ED

4F7/2 6H15/2 25,800 3876

2.38

ED 0.82 0.22 0.067

4I13/2 6H15/2 MD

4K17/2 6H15/2 26,400 3787 9=

; MD 0.22

4M19/2 6H15/2 27,400 3649

2.85

ED 1.94 3.12 0.945

(4P,4D)3/2 6H15/2 ED

6P5/2 6H15/2

9=

; ED þ

6P7/2 6H15/2 28,550 3503 4.36 ED 2.32 1.92 0.582

(4F,4D)5/2 6H15/2 29,600 3378 0.39 ED þ 0.30 0.52 0.158

6P3/2 6H15/2 30,803 3247 2.59 ED þ 1.63 3.72 1.127

4H13/2 6H15/2 33,500 2985

1.43

MD þ 0.17 0.47 0.142

4D7/2 6H15/2 33,900 2950 ED 0.58 0.85 0.258

4G9/2 6H15/2 (34,311) (2914) ED

4G11/2 6H15/2 34,900 2865 ED þ

4L17/2 6H15/2 34,900 2865 9>

>>

>=

>>

>>

; ED þ

(4G,4H)7/2 6H15/2 35,900 2785 0.05 ED

(4G,4P)5/2 6H15/2 36,550 2736 ED 0.17 0.19 0.058

4F3/2 6H15/2 37,900 2639 ED þ

(4G,4P)5/2 6H15/2 38,900 2570 ED 0.30 0.39 0.118

(4P,4F)3/2 6H15/2 39,100 2557 ED 0.63 1.47 0.445

(4F,2G)9/2 6H15/2 41,050 2436 ED

4I15/2 6H15/2 41,700 2398 EDþMD

Transition n(cm1) l(A˚ ) 106P Mechanism

SignA term

emax

(l mol1cm1)

(mol1dl dm1tesla1)

101 ðDemax=HÞ (l mol1cm1tesla1)

5F5 5I8 15,500 6452 3.76 ED þ 3.04 3.32 1.006

5S2 5I8 18,500 5405

5.23 ED þ 1.65 2.37 0.718

5F4 5I8 18,653 5361

ED þ 4.49 9.31 2.821

5F3 5I8 20,600 4854 1.78 ED þ 1.75 6.54 1.982

5F2 5I8 21,100 4739

1.43 ED þ 0.76 1.57 0.476

3K8 5I8 21,370 4679

EDþMD þ 0.76 1.28 0.388

5G6 5I8 22,100 4524 6.00 EDþhyp 3.59 4.03 1.221

(5G,3G)5 5I8 23,950 4175 3.14 ED 2.35 3.24 0.982

5G4 5I8 25,800 3876

1.03 ED þ 0.44 0.57 0.173

3K7 5I8 26,200 3817

EDþMD

3H6 5I8 27,700 3610

3.24 ED

(5G,3H)5 5I8 27,700 3610

ED 2.04 1.55 0.470

5G3 5I8 28,800 3472

0.83 ED

3L9 5I8 29,000 3448

EDþMD 0.51 0.82 0.248

(3F,3H,3G)4 5I8 30,000 3333

0.80 ED þ

3K6 5I8 30,012 3332

EDþhyp 0.78 0.86 0.261

5G2 5I8 30,900 3236 0.13 ED

3L8 5I8 34,200 2924

1.01 EDþMD 0.47

3M10 5I8 34,200 2924

ED

(5G,5D,3G)4 5I8 34,800 2874 2.72 ED 3.06 2.98 0.903

(3H,5D,1G)4 5I8 36,000 2777 2.59 ED 1.84 2.16 0.655

3I7 5I8 38,500 2597 EDþMD

5D3 5I8 40,000 2500 0.54 ED 0.36

(3F,5D)4 5I8 41,550 2406 2.54 ED 3.12

Transition n(cm1) l(A˚ ) 106P Mechanism

SignA term

emax

(l mol1cm1)

(mol1dl dm1tesla1)

(l mol1 cm1tesla1)

4I9/2 5I15/2 12,400 8064 0.29 ED 0.24 0.697 0.211

4F9/2 5I15/2 15,250 6557 2.25 ED þ 2.09 3.24 0.982

4S3/2 5I15/2 18,350 5449 0.66 ED þ 0.70 1.87 0.567

(2H,4G)11/2 5I15/2 19,150 5222 2.89 EDþhyp 3.44 5.88 1.782

4F7/2 5I15/2 20,450 4889 2.27 ED þ 2.07 6.35 1.924

4F5/2 5I15/2 22,100 4525

1.25 ED þ 0.88 2.97 0.900

4F3/2 5I15/2 22,500 4444

ED þ 0.41 1.00 0.303

(2G,4F,2H)9/2 5I15/2 24,500 4037 0.80 ED þ 0.67 1.83 0.555

4G11/2 5I15/2 26,400 3788 5.92 EDþhyp 7.36 12.92 3.915

4G9/2 5I15/2 27,400 3649 1.75 ED 2.21 3.46 1.048

2K15/2 5I15/2 27,933 3580

0.91 MD 0.37

2G7/2 5I15/2 28,000 3571

ED þ 0.93 2.63 0.797

(2P,2D,4F)3/2 5I15/2 31,600 3164 0.09 ED þ

2K13/2 5I15/2 33,200 3012 0.12 EDþMD

4G5/2 5I15/2 33,400 2994 ED

4G7/2 5I15/2 34,050 2937 0.21 ED

2D5/2 5I15/2 34,850 2869 0.14 ED þ 0.17 0.498 0.151

(2H,2G)9/2 5I15/2 36,550 2736 0.44 ED 0.32 0.31 0.094

4D7/2 5I15/2 39,200 2551 10.2 ED 8.08 7.74 2.345

2I11/2 5I15/2 41,150 2430 ED 0.83

2L17/2 5I15/2 41,650 2400 EDþMD 0.29

4D3/2 5I15/2 42,300 2364 ED

2I3/2 5I15/2 43,550 2296 EDþMD 0.56

Transition n(cm1) l(A˚ ) 106P Mechanism

SignA term

emax

(l mol1cm1)

(mol1dl dm1tesla1)

(l mol1 cm1tesla1)

3H4 3H6 12,700 7874 2.12 ED 0.91 0.83 0.252

3F3 3H6 14,500 6897 3.91 ED þ 2.38 1.38 0.418

3F2 3H6 15,100 6622

ED 0.26 0.40 0.121

1G4 3H6 21,350 4684 0.71 ED 0.43 0.45 0.136

1D2 3H6 28,000 3571 2.38 ED 0.70 0.36 0.109

1I6 3H6 34,900 2865

0.84 EDþMD

3P0 3H6 35,500 2817

ED þ 0.33 0.15 0.045

3P1 3H6 36,400 2747 0.56 ED 0.36

3P2 3H6 38,250 2614 3.28 ED 0.94 0.43 0.130

respectively, to a signal on the positive and negative side of the MCD scale (De¼eeþ). As explained in Section 4.5 the ratioðDemax=HÞ=emaxleads toA1/Dby the use of Eq. (230). This determines the magnetic moment of the involved states.

The importance of the sign of the MCD terms has to a great extent been explained in Section 5. Additionally MCD enables to distinguish two peaks that in absorption are poorly resolved by the presence of two consecutive peaks with opposite sign, see, for example, Dywhere the

6P5/2 6H15/2at 364.5 nm and6P7/2 6H15/2at 350.3 nm show, respec- tively, a positive and negative MCD signal.

8. CALCULATION OF THE A

1

/D RATIO FOR THE MAGNETIC