Band shift and the energy of ties

Pectin

Pectinate Cu²⁺

Pectinate Ni²⁺

Pectinate Co²⁺

Pectinate Zn²⁺

Pectinate Mn²⁺

Pectinate Pb²⁺

Pectinate Fe²⁺

Pectinate Cr³⁺

Band shift compared to pectin, cm⁻¹

3450

+110

+78

+80

+80

+65

+60

+2

+22

3415

+25

+15

+15

-

+5

+7

-

+15

3380

+54

+10

+15

+15

+20

+5

+1

+16

3350

+4

+8

+10

+13

+1

+5

+2

+26

3275

+20

+5

+10

+7

+15

+25

-17

+20

3241

+9

-

-

-

+2

-

-

+4

3180

+12

+5

+8

+10

+4

-

+5

+10

Calculated energy of hydrogen bonds, kJ/mole

(absorption bands

ОН of groups, cm⁻¹)

5.68 (3450)

2.32

3.30

3.24

3.24

3.70

3.85

5.62

5.01

6.75 (3415)

5.99

6.30

6.30

6.75

6.60

6.54

6.75

6.30

7.82 (3380)

6.17

7.52

7.36

7.36

8.43

7.67

7.79

7.33

8.74 (3350)

8.62

8.50

8.43

8.34

8.71

8.59

8.68

7.95

11.03 (3275)

10.42

10.88

10.73

10.82

10.57

10.27

11.55

10.42

12.07 (3241)

11.80

-

-

-

12.01

-

-

11.95

13.93 (3180)

13.57

13.78

13.69

13.63

13.81

13.93

13.78

13.63

Energy decrease of hydrogen bonds compared to pectin, kJ/mole

3.36

2.38

2.44

2.44

1.98

1.83

0.06

0.67

0.76

0.45

0.45

-

0.15

0.21

-

0.45

1.65

0.30

0.46

0.46

0.61

0.15

0.03

0.49

0.12

0.24

0.31

0.40

0.03

0.15

0.06

0.79

0.61

0.15

0.30

0.21

0.46

0.76

0.52

0.61

0.27

-

-

-

0.06

-

-

0.12

0.36

0.15

0.24

0.30

0.12

-

0.15

0.30