Assignment of IR absorption frequencies, type of C60Hx cage and C-H group vibrations [26]

Wavenumber (cm1)

Sample

С60Н36, C60 hydrogenated by followed reagent [1] [8] [10] [11]

Calculated for C60H60 [26]

X1

B2

P2

Li + NH3 + t-BuOH

C2H5J

Zn + HCl

Li + ethylene diamine + t-BuOH

DGA

9F1u sp3 C-H st

8F1u sp3 C-H st

sp3 C-H st

2920

2843

2922

2853

2922

2853

2925

2855

2912

2847

2827

2913

2849

2913

2847

2824

2913

2850

2912

2907

С=С st

7F1u C60Hx cage

ar C-C st

1596

1600

1727

1594

1620

1655

1640

1490

1725

1635

1605

1492

1606

1612

6F1u C60Hx cage

1449

1453

1461

1450

1460

1456

1453

1511

1450

5F1u C-H δ

1366

1362

1377

1400

1448

1384

1299

ar C-H ip

4F1u C60Hx cage

1154

1145

1166

1174

1273

1123

1260

1257

1198

1163

ar C-C st

-

1027

1025

1073

1035

1097

1024

3F1u C60Hx cage

ar C-H oop

2F1u C60Hx cage

1F1u C60Hx cage

879

822

752

456

830

747

698

537

887

838

754

453

675

691

667

526

470

730

678

803

697

885

487

435