Página principal

Supplementary Tables The Microwave Spectrum, Ab Initio Analysis and Structure of the Fluorobenzene-Hydrogen Chloride Complex


Descargar 458.82 Kb.
Página1/5
Fecha de conversión21.09.2016
Tamaño458.82 Kb.
  1   2   3   4   5




Supplementary Tables

The Microwave Spectrum, Ab Initio Analysis and Structure of the

Fluorobenzene-Hydrogen Chloride Complex
M. Eugenia Sanz, Sonia Antolínez, José L. Alonso and Juan C. López

Departmento de Química Física

Facultad de Ciencias

Universidad de Valladolid, 47005

Valladolid, Spain
Robert L. Kuczkowski, Sean A. Peebles, Rebecca A. Pebbles and Faith C. Boman

Department of Chemistry

University of Michigan

Ann Arbor, Michigan, 48109-1055, USA

Elfi Kraka and Dieter Cremer

Department of Theoretical Chemistry

Göteborg University

S-41320 Göteborg

Reuterogatan 2, Sweden

Table S1. Observed and calculated frequencies (MHz) of hyperfine components for fluorobenzeneHCl complex.






C6H5FH35Cl




C6H5FH37Cl

[a] obs. obs.-cal.[b] obs. obs.-cal.[b]





































2

2

0

4

1

1

1

3

6728.860

-0.001
















3










2

6735.494

-0.001
















2










1

6733.659

0.002
















3










3

6738.279

0.000
















2










2

6728.754

-0.003
















1










1

6724.304

0.001
















1










2

6719.405

0.002







2

2

1

4

1

1

0

3

6508.286

-0.001
















3










2

6511.053

0.000
















2










1

6516.050

0.003







3

0

3

5

2

0

2

4

5958.041

0.000
















4










3

5957.714

0.001
















3










2

5955.519

-0.001







3

1

3

5

2

1

2

4

5776.110

0.000

6255.966

-0.002










4










3

5773.751

0.001

6256.561

-0.001










3










2

5773.254

-0.001

6254.400

-0.003

3

1

2

5

2

1

1

4

6342.210

0.001
















4










3

6339.840

0.000
















3










2

6340.260

0.000
















2










1

6342.649

0.000







3

2

2

5

2

1

1

4

8344.921

0.000
















4










3

8347.668

-0.001
















3










2

8345.691

0.000
















2










1

8342.981

0.002
















2










2

8345.712

-0.002







3

1

3

5

2

0

2

4

6372.743

0.002
















4










3

6373.363

0.000
















3










2

6370.725

0.001
















2










1

6370.137

-0.002







4

0

4

6

3

0

3

5

7830.831

0.000

7636.381

-0.001










5










4

7830.295

0.000

7636.117

0.000










4










3

7829.444

0.002

7635.305

0.001










3










2

7830.021

0.001

7635.569

0.001

4

1

4

6

3

1

3

5

7670.662

0.000

7472.311

0.001










5










4

7669.650

-0.001

7471.505

0.000










4










3

7668.982

-0.001

7470.978

0.000










3










2

7669.990

-0.001

7471.781

0.000

4

1

3

6

3

1

2

5

8410.372

0.000
















5










4

8409.317

-0.001
















4










3

8409.091

0.000
















3










2

8410.144

-0.001







4

2

3

6

3

2

2

5

8080.650

0.000
















5










4

8076.926

-0.001
















4










3

8078.237

0.002
















3










2

8081.952

0.001







4

2

2

6

3

2

1

5

8353.721

0.000
















5










4

8350.371

0.002
















4










3

8351.611

-0.001
















3










2

8354.958

-0.001







4

1

4

6

3

0

3

5

8085.362

0.000

7923.603

0.002










5










4

8085.300

0.000

7923.619

0.001










4










3

8084.186

-0.001

7922.708

0.002










3










2

8084.253

0.000

7922.692

0.001




































  1   2   3   4   5


La base de datos está protegida por derechos de autor ©espanito.com 2016
enviar mensaje