Table2:. Calculated and observed Raman wavenumbers and relative intensities.

 

Cal.*

Intensity

FT-Raman
Powder

 

Powder 514.5
nm

 

LB-SERRS
514.5 nm

 

LB SERS
633 nm

 

Assignment

cm-1

4/a.m.u.

cm-1

FWHM

cm-1

FWHM

cm-1

FWHM

cm-1

FWHM

 

519

63

519 (7)

10

520 (9)

5

522 (6)

15

   

Ring def.

1066

118

           

1054 (4)

8

C-H bend

1073

471

1081 (3)

     

1076 (1)

12

1076 (5)

26

C-H bend

1088

78

 

12

           

C-H bend

1133

196

1109 (7)

11

1109 (16)

5

1097 (1)

15

1107 (10)

11

C-H bend

1159

105

           

1160 (4)

12

Ring Str.

1263

1617

1246 (8)

16

1246 (10)

14

1240 (7)

14

1245 (11)

12

C-H bend

1272

213

1275 (7)

12

1275 (8)

9

1274 (6)

16

1275 (7)

8

C-H bend

1318

336

                 

1335

605

1315 (25)

13

1314 (3)

7

1311 (22)

21

1314 (41)

13

Ring Str.

1340

4186

           

1380 (23)

 

C-H bend

1347

1781

1396 (100)

14

1397 (100)

8

1393 (100)

16

1396 (100)

 

Ring Str.

1367

96

             

17

Ring Str.

1481

39

       

1472 (2)

 

1467 (3)

7

Ring Str.

1506

39

           

1506 (5)

16

Ring Str.

1547

2134

1538 (12)

9

1539 (12)

6

1536 (10)

7

1537 (14)

12

Ring Str.

1581

1295

1555 (5)

7

1553 (4)

5

1550 (5)

11

1555 (5)

9

Ring Str.

1598

5118

1579 (18)

12

1580 (14)

6

1574 (8)

13

1575 (25)

14

C=C str.

1618

309

1621 (48)

13

1622 (36)

6

1619 (36)

20

1620 (32)

10

C=C str.

1676

109

1661 (6)

13

       

1668 (3)

7

C=O str

1717

358

1695 (13)

10

1697 (8)

8

1698 (2)

13

1699 (9)

12

C=O str.

* Scaling factor of 0.9 employed

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