2-Aminothiazole

[Zn(2-Aminothiazole)₂Cl₂]

Assignments^b

Experimental frequencies [17] ^a

B3LYP/6-31G(d, p)

Experimental frequencies [18]

B3LYP/6-31G(d, p)

Scaled

I_Abs

Scaled

I_Abs

-

3686

29

-

3683

96

ν_assym(NH); (NH₂)

3413 w

3569

37

-

3396

532

Ν_sym(NH); (NH₂)

3293 w

3224

10

-

3249

17

ν_(C-H)

1764 s

1653

186

-

1675

366

ν_(C=N)

1629 m

1588

73

-

1595

35

ν_(C=N); ν_(C=C)

1527 m

1544

52

-

1572

216

ν_(C-N); ν_(C=C)

1361 s

1359

44

-

1390

83

Rband; ν_(C-H)

1327 s

1305

54

-

1386

118

Rband; ν_(C-H)

1277 ms

1243

24

-

1247

65

ν_(C-N); ν_(C-H)

1070 s

1054

47

-

1081

91

Rband

769 s

754

12

-

759

14

Rband; ν_(C-S)

709 s

700

13

-

714

32

Rband

695 ms

650

46

-

647

126

Rband; ν_(C-S)

661 vs

644

158

-

611

24

Rband

542 s

556

61

-

525

65

Rband;

517 ms

510

103

-

519

30

-

292

36

400

399

32

-

-

-

-

381

137

-

-

-

300

330

63

ν_(Zn-Cl)

-

-

-

290

261

17

ν_(Zn-Cl)

-

-

-

225

216

22

ν_(Zn-N)

-

-

-

185

197

2

ν_(Zn-N)

-

-

-

168

163

13

Rband;