Do, ut des




  • Using high spectral resolution it is possible to determine separately all main terms of g- and A-tensors.

  • The control a change of shape of the spectral components allows to determine an effect of various factors on unpaired electron distribution in a molecule.

  • High spectral resolution takes also opportunity to determine anisotropy of rotation of nitroxide and its microenvironment. It can be made by registration of absorption ("fast" rotation region) or dispersion ("slow" and "superslow" rotation regions) terms.

Radical

Matrix

gxx

gyy

gzz

Axx,
mT

Ayy,
mT

Azz,
mT

aiso,
mT

Acyclic Radicals

C6H5CH3

2.00944

2.00622

2.00228

 

0.59

3.42

  

C10H18

2.00886

2.00615

2.00220

    

3.58

  

C6H5CH3

2.00901

2.00538

2.00236

    

2.57

1.01

C10H18

2.00783

2.00498

2.00225

    

2.77

  

C6H5C(CH3)3

2.00947

2.00541

2.00217

    

2.50

  

C6H5CH3

2.00907

2.00522

2.00226

    

2.47

  

C10H18

2.00947

            

2.00822

2.00518

2.00224

    

2.49

  

CH3OH

2.00913

            

2.00812

2.00521

2.00213

    

2.61

  

C9H19CHOH

2.00934

            

2.00846

2.00520

2.00214

    

2.46

  

Piperidine Series

C6H5C(CH3)3

2.00975

2.00636

2.00218

    

3.37

  

Caoutchouc

2.00988

2.00611

2.00224

    

3.35

  

NM

2.00980

2.00611

2.00222

    

3.41

  

C6H5CH3

2.00980

2.00622

2.00220

0.60

0.73

3.42

1.55

CH3OH

2.00909

2.00621

2.00222

  

0.72

3.64

  

C10H18

2.00920

2.00625

2.00226

    

3.52

  

C7H16

2.00915

2.00619

2.00220

0.48

0.54

3.32

1.43

C6H5CH3

2.00918

2.00620

2.00220

    

3.33

  

C10H18

2.00883

2.00620

2.00225

    

3.55

  

CH3OH

2.00870

2.00618

2.00217

    

3.58

  

C6H5CH3

2.00978

2.00625

2.00217

0.63

0.69

3.40

1.57

C6H5CH3

2.00966

2.00627

2.00221

    

3.40

  

C6H5CH3

2.00979

2.00625

2.00220

    

3.49

  

C6H5CH3

2.00971

2.00622

2.00221

    

3.43

  

C6H5CH3

2.00974

2.00623

2.00222

    

3.41

  

CH3OH

2.00919

2.00611

2.00214

    

3.57

  

C6H5C(CH3)3

2.00981

2.00601

2.00162

0.95

0.71

3.51

1.72

C6H5CH3

2.00988

2.00628

2.00232

0.64

0.72

3.48

1.61

C6H5CH3

2.00988

2.00625

2.00222

0.66

0.71

3.40

1.55

C6H5CH3

2.00986

2.00626

2.00222

0.62

0.70

3.43

1.58

HM

2.00978

2.00624

2.00221

0.62

0.69

3.45

1.54

C5H11OH

2.00922

2.00607

2.00218

  

0.68

3.61

  

C10H18

2.00917

2.00608

2.00216

  

0.77

3.58

  

C2H5OH

2.00903

2.00616

2.00218

    

3.63

  

CH3OH

2.00899

2.00610

2.00218

  

0.73

3.70

  

H2O

2.00878

2.00604

2.00215

    

3.74

  

C6H5CH3

2.00984

2.00629

2.00226

    

3.43

  

HM

2.00967

2.00627

2.00225

  

0.66

3.39

  

CH3OH

2.00901

2.00620

2.00222

    

3.69

1.61

C6H5CH3

2.00986

2.00626

2.00230

0.65

0.74

3.35

1.53

HM

2.00974

2.00641

2.00228

  

0.66

3.38

  

C6H5CH3

2.00990

2.00627

2.00220

0.64

0.71

3.38

1.52

HM

2.00967

2.00621

2.00228

    

3.44

  

CH3OH

2.00918

2.00623

2.00221

    

3.65

1.62

C6H5CH3

2.00985

2.00623

2.00223

        

CH3OH

2.00901

2.00610

2.00216

        

C6H5CH3

2.00991

2.00619

2.00218

    

3.44

1.52

HM

2.00988

2.00635

2.00233

    

3.40

  

CH3OH

2.00937

2.00613

2.00219

    

3.53

  

C6H5CH3

2.00986

2.00624

2.00216

0.62

0.68

3.34

1.55

C6H5CH3

2.00991

2.00622

2.00235

0.64

0.69

3.38

1.49

HM

2.00984

2.00631

2.00227

  

0.66

3.36

  

CH3OH

2.00935

 

          

2.00880

2.00620

2.00232

    

3.49

  

C6H5CH3

2.01005

2.00640

2.00223

0.43

0.66

3.38

1.49

HM

2.00970

2.00624

2.00222

    

3.36

  

CH3OH

2.00942

 

          

2.00882

2.00634

2.00232

    

3.51

  

C6H5CH3

2.00952

2.00632

2.00192

    

3.38

1.50

C6H5CH3

2.00915

2.00621

2.00217

    

3.35

1.44

HM

2.00977

2.00634

2.00232

    

3.33

  

CH3OH

2.00874

2.00610

2.00216

    

3.44

  

3-Piperidine Series

C6H5CH3

2.00967

2.00619

2.00228

    

3.33

  

C10H18

2.00933

2.00624

2.00225

    

3.41

  

C6H5CH3

2.00969

2.00624

2.00218

    

3.36

  

C9H19CHOH

2.00896

2.00605

2.00210

    

3.48

  

CH3OH

2.00884

2.00598

2.00211

    

3.59

  

C6H5CH3

2.00970

2.00621

2.00225

    

3.37

  

NM

2.00957

2.00613

2.00223

    

3.36

  

C6H5C(CH3)3

2.00979

2.00622

2.00206

    

3.41

  

C9H19CHOH

2.00936

2.00617

2.00228

    

3.41

  

C3H7OH

2.00924

2.00619

2.00218

    

3.49

  

NH2CH2CO2H

2.00896

2.00606

2.00218

    

3.51

  

C6H5CH3

2.00971

2.00623

2.00218

    

3.33

  

Vaseline

2.00969

2.00611

2.00228

    

3.21

  

Caoutchouc

2.00986

2.00611

2.00226

    

3.34

  

NM

2.00961

2.00624

2.00228

    

3.35

  

CH3OH

2.00915

2.00604

2.00205

    

3.60

  

C6H5CH3

2.00971

2.00618

2.00211

    

3.36

  

NM

2.00950

2.00615

2.00220

    

3.35

  

C9H19CHOH

2.00876

2.00585

2.00209

    

3.43

  

C6H5C(CH3)3

2.00998

2.00627

2.00230

    

3.31

  

C6H5CH3

2.00953

2.00577

2.00176

    

3.40

  

C5H11OH

2.01010

 

          

2.00935

2.00602

2.00197

    

3.50

  

C2H5OH

2.00910

2.00573

2.00210

    

3.58

  

3C2H5OH/H2O

2.00902

2.00543

2.00212

    

3.60

  

C2H5OH/H2O

2.00890

2.00602

2.00214

    

3.65

  

C2H5OH/2H2O

2.00883

2.00608

2.00201

    

3.70

  

CH3OH

2.00860

2.00550

2.00178

    

3.73

  

H2O

2.00834

2.00571

2.00167

    

3.77

  

C6H5CH3

2.00990

2.00614

2.00225

0.66

0.71

3.43

1.55

(CH3)2CHOH

2.00990

2.00621

2.00207

    

3.51

  

C5H11OH

2.00990

 

          

2.00940

2.00602

2.00197

    

3.56

  

C2H5OH

2.00942

 

          

2.00897

2.00592

2.00188

    

3.60

  

CH3OH

2.00881

2.00558

2.00197

    

3.72

  

H2O

2.00863

2.00582

2.00187

    

3.77

  

C6H5CH3

2.00954

2.00606

2.00214

    

3.28

  

H2O

2.00860

2.00610

2.00218

    

3.81

  

C6H5CH3

2.00963

2.00617

2.00222

    

3.40

  

HM

2.00962

2.00624

2.00231

    

3.39

  

CH3OH

2.00890

2.00612

2.00222

    

3.65

1.56

C6H5CH3

2.00965

2.00630

2.00227

    

3.39

1.52

CH3OH

2.00889

2.00609

2.00216

    

3.62

1.58

HM

2.00985

2.00618

2.00226

  

0.68

3.45

  

CH3OH

2.00916

2.00619

2.00226

    

3.64

1.63

C6H5CH3

2.00975

2.00632

2.00228

    

3.39

  

HM

2.00954

2.00620

2.00219

  

0.68

3.41

  

Pyrrolidine Series

C6H5CH3

2.00893

2.00607

2.00222

0.43

0.48

3.30

1.40

CH3OH

2.00821

2.00603

2.00220

    

3.59

  

C6H5CH3

2.00915

2.00613

2.00220

0.41

0.47

3.33

1.37

C6H5CH3

2.00907

2.00618

2.00217

    

3.30

  

Pyrroline Series

HM

2.00898

2.00592

2.00219

    

3.41

  

HM

2.00901

2.00601

2.00211

    

3.29

1.46

C2H5OH

2.00868

2.00588

2.00214

    

3.41

  

CH3OH

2.00840

2.00610

2.00219

    

3.66

  

C6H5CH3

2.00933

2.00623

2.00205

    

3.34

  

C5H11OH

2.00930

2.00615

2.00206

    

3.38

  

(CH3)2CHOH

2.00925

2.00614

2.00208

    

3.41

  

C2H5OH

2.00861

2.00612

2.00212

    

3.49

  

CH3OH

2.00835

2.00628

2.00214

    

3.60

  

H2O

2.00828

2.00621

2.00215

    

3.65

  

C6H5CH3

2.00927

2.00616

2.00219

    

3.26

  

C6H5CH3

2.00859

2.00602

2.00211

0.49

0.53

3.40

1.47

C2H5OH

2.00849

2.00610

2.00215

    

3.61

  

C6H5CH3

2.00902

2.00618

2.00217

    

3.38

  

C8H18

2.00872

2.00623

2.00214

    

3.43

  

C2H5OH

2.00865

2.00622

2.00221

    

3.52

  

CH3OH

2.00857

2.00617

2.00209

    

3.69

  

Imidazoline Series

C6H5CH3

2.00932

2.00604

2.00222

    

2.32

1.26

  

C6H5CH3

2.00910

2.00613

2.00224

    

3.35

  

CH3OH

2.00922

 

          

2.00862

2.00602

2.00221

    

3.45

  

C6H5CH3

2.00913

2.00610

2.00228

    

3.27

  

CH3OH

2.00923

 

          

2.00865

2.00607

2.00223

    

3.42

  

C6H5CH3

2.00908

2.00610

2.00223

    

3.31

1.42

CH3OH

2.00919

 

          

2.00862

2.00604

2.00221

    

3.41

1.48

CH3OH

2.00958

2.00608

2.00218

    

3.25

  

C6H5CH3

2.00881

2.00590

2.00206

    

3.36

  

CH3OH

2.00807

2.00598

2.00210

    

3.49

  

CH3OH

2.00858

2.00606

2.00214

    

3.48

  

C6H5CH3

2.00909

2.00610

2.00221

0.46

0.51

3.24

1.40

C6H5CH3

2.00916

2.00614

2.00223

    

3.32

  

CH3OH

2.00926

 

          

2.00860

2.00611

2.00222

    

3.42

  

CH3OH

2.00923

 

          

2.00864

2.00607

2.00224

    

3.40

1.44

HM

2.00890

2.00591

2.00216

    

3.32

  

C6H5C(CH3)3

2.00928

2.00614

2.00206

    

3.25

  

C6H5CH3

2.00893

2.00592

2.00210

  

0.47

3.33

  

CH3OH

2.00932

 

          

2.00879

2.00610

2.00223

    

3.42

  

C6H5CH3

2.00902

2.00601

2.00223

    

3.26

  

CH3OH

2.00871

2.00604

2.00223

    

3.38

  

CH3OH

2.00958

2.00608

2.00218

    

3.25

  

CH3OH

2.00921

 

          

2.00863

2.00609

2.00214

    

3.42

  

HM

2.00882

2.00594

2.00208

    

3.35

  

C2H5OH

2.01044

 

          

2.00984

2.00696

2.00302

    

3.39

  

C8H18

2.00951

2.00611

2.00215

    

3.28

  

C3H7OH

2.00955

 

          

2.00894

2.00619

2.00217

    

3.29

  

C2H5OH

2.00901

2.00617

2.00219

    

3.42

  

CH3OH

2.00882

2.00626

2.00228

    

3.61

  

3-Imidazolin-3-Oxid-1-Oxyle Series

C6H5CH3

2.01100

2.00650

2.00210

    

1.86

 

C6H5CH3

2.00927

2.00618

2.00224

0.47

0.55

3.22

1.44

Vaseline

2.00950

2.00614

2.00232

0.42

0.68

3.14

1.41

HM

2.00930

2.00616

2.00232

0.42

0.58

3.25

1.42

C2H5OH

2.00930

2.00616

2.00225

0.44

0.48

3.25

1.39

CH3OH

2.00937

2.00616

2.00228

0.43

0.48

3.24

1.38

H2O

2.00893

2.00606

2.00225

  

0.56

3.39

  

C6H5CH3

2.00928

2.00619

2.00224

0.42

0.51

3.25

1.47

CH3OH

2.00938

2.00619

2.00221

    

3.26

1.48

C6H5CH3

2.00927

2.00621

2.00229

    

3.27

1.43

C6H5CH3

2.00927

2.00622

2.00217

    

3.28

  

CH3OH

2.00937

2.00618

2.00220

    

3.26

  

C6H5CH3

2.00924

2.00614

2.00222

    

3.28

1.36

CH3OH

2.00936

2.00618

2.00221

    

3.27

  

C6H5CH3

2.00929

2.00617

2.00222

    

3.23

1.39

CH3OH

2.00940

2.00623

2.00221

    

3.25

  

C6H5CH3

2.00927

2.00615

2.00222

    

3.26

1.38

HM

2.00915

2.00526

2.00217

1.95

3.23

1.45

CH3OH

2.00940

2.00617

2.00222

    

3.29

  

C6H5CH3

2.00913

2.00601

2.00206

    

3.27

1.46

CH3OH

2.00932

2.00620

2.00221

    

3.29

  

C6H5CH3

2.00931

2.00618

2.00226

0.45

0.52

3.23

1.40

C6H5CH3

2.00928

2.00608

2.00220

0.46

0.50

3.23

1.42

C6H5CH3

2.00918

2.00602

2.00219

0.45

0.52

3.22

1.42

CH3OH

2.00926

2.00599

2.00214

0.40

0.52

3.25

1.39

C6H5CH3

2.00917

2.00595

2.00234

0.46

0.55

3.21

1.41

CH3OH

2.00922

2.00596

2.00225

0.44

0.56

3.23

1.41

Imidazolidine Series

C6H5CH3

2.00957

2.00624

2.00228

0.57

0.63

3.32

1.51

C6H5CH3

2.00951

2.00620

2.00221

0.51

0.63

3.28

1.47

C6H5CH3

2.00940

2.00623

2.00226

0.62

0.68

3.36

1.55;

C6H5CH3

2.00941

2.00611

2.00226

0.51

0.69

3.46

1.55

C6H5CH3

2.00962

2.00613

2.00211

0.64

0.72

3.29

1.5

C6H5CH3

2.00970

2.00613

2.00213

0.64

0.69

3.35

1.56

C6H5CH3

2.00872

2.00598

2.00211

    

3.39

  

CH3OH

2.00834

2.00598

2.00218

    

3.57

  

C6H5CH3

2.00913

2.00597

2.00211

    

3.28

  

CH3OH

2.00923

 

          

2.00860

2.00605

2.00215

    

3.42

  

C6H5CH3

2.00925

2.00604

2.00221

0.40

0.51

3.26

1.43

HM

2.00901

2.00601

2.00219

    

3.32

  

C6H5CH3

2.00910

2.00582

2.00217

    

3.26

  

CH3OH

2.00877

2.00585

2.00216

    

3.42

  

HM

2.00898

2.00531

2.00212

    

3.32

  

C6H5CH3

2.00905

2.00611

2.00219

0.48

0.51

3.29

1.41

CH3OH

2.00885

2.00601

2.00220

    

3.36

  

HM

2.00905

2.00614

2.00221

    

3.26

1.51

C6H5CH3

2.00913

2.00606

2.00215

0.45

0.52

3.24

1.43

HM

2.00896

2.00607

2.00217

    

3.32

  

References: O.Ya. Grinberg, ScD Thesis, Moscow, 1988; V.I. Krinichnyi, 2-mm Wave Band EPR Spectroscopy of Condensed Systems, CRC Press, Boca Raton, 1995. Abbrevs: HM - hexamethyl-t-amidsulfure acid, NM - n-metoxybenziliden-n'-butylaniline. The measurement errors in the component of g- and A-tensors are 7× 10-5 and 3×10-2 mT, respectively.

   
 
Sc.D. V.I. Krinichnyi    Copyright © 2000 -