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 0.3 G, respectively.