[PDF] [PDF] Electronic Supplementary Information to A Cu-Zn-Cu-Zn

[PDF] Wavenumbers and Frequencies - MSU chemistry

m The frequency ν in the SI system is measured in reciprocal seconds 1 s − cm or 1 523x10 4 cm -1 We can convert this to Hz by multiplying by the speed 

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[PDF] 16 Conversion tables for units - IUPAC

electromagnetic conversiton factors is the (exact) pure number 2 997 924 58× 1010 = c0/(cm s-1) The inclusion of non-SI units in this table should not be taken to 

[PDF] Units used in IR spectroscopy The wavelength of light in the IR

cm ν sec-1 = c and E = h ν, then ν = c/ λ; ν is proportional to 1/ λ, the general convention in IR is to list frequencies proportional to energy Frequencies in IR are 

[PDF] 16 Conversion tables for units The table below gives conversion

electromagnetic conversiton factors is the (exact) pure number 2 997 924 58× 1010 = c0/(cm s-1) The inclusion of non-SI units in this table should not be taken to 

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9 822517·1013 s−1 Typical units for phonon frequencies are meV, THz, and cm −1 Let's find their relations with our f u • meV is the measure of energy of a 

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m-1 Å-1(=1010 m-1) cm-1(=102 m-1) Speed m/s Acceleration m/s2 Diffusion Coefficient Kinematic Viscosity m2/s St(=10-4 m2/s=cm2/s) Power (newton)

[PDF] Electronic Supplementary Information to A Cu-Zn-Cu-Zn

The spectrum can be simulated as coming from an S=1/2 state because the fine structure To convert D, E from Gauss to cm-1 multiply by 4 6686·10-5 · 2 0023

pdf Searches related to cm 1 to s 1

? c Example: The wavelength of the red line in the Hydrogen spectrum is approximately 656 5 nm This corresponds to 656 5 x 10-9 m x 102 cm/m or 656 5 x 10-7 cm or 1 523x104 cm-1 We can convert this to Hz by multiplying by the speed of light which is 2 99792458 x 1010 cm s-1 resulting in 4 566 x 1014 Hz

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# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2005

Electronic Supplementary Information to

A Cu-Zn-Cu-Zn heterometallomacrocycle shows significant antiferromagnetic coupling between paramagnetic centres mediated by diamagnetic metal

Elena A. Buvaylo,

a

Vladimir N. Kokozay,

a

Olga Yu. Vassilyeva,

a

Brian W. Skelton,

b

Julia Jezierska,

c

Louis C.

Brunel

d and Andrew Ozarowski* d a Department of Inorganic Chemistry, National Taras Shevchenko University, Volodimirska str. 64, Kyiv

01033, Ukraine

b Chemistry, School of Biomedical and Chemical Sciences, University of Western Australia,

Crawley, Western Australia 6009

c Faculty of Chemistry, University of Wroclaw, 14 Joliot-Curie Str., 50-383 Wroclaw, Poland d

National High Magnetic Field Laboratory, FSU • 1800 E. Paul Dirac Dr., Tallahassee, FL 32310-3706,

USA, Fax: 850-644-1366; Tel: 850-644-5996; E-mail: ozarowsk@magnet.fsu.edu # Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2005

The 30 K spectrum of 1 at 377.24 GHz

Blue: experimental, Red: spin-doublet spectrum simulated with the following parameters: g x = 2.0525 g y = 2.0546 g z = 2.2510

Anisotropic line shape, 50% Gaussian 50% Lorentzian, with the widths x=30 G, y=25 G, z=80 G. Linewidth

is defined here for the derivative line as the distance from the zero-point to the peak.

The spectrum can be simulated as coming from an S=1/2 state because the fine structure is lost due to the

intermolecular interactions.

Magnetic Induction, Tesla

12.0 12.212.412.612.813.0 13.2

30 K
# Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2005

The 10 K spectrum of 1 at 92.7675 GHz

Blue: experimental, Red and Green: spin-triplet spectra simulated with the following parameters:

Green:

g x = 2.0527 g y = 2.0550 g z = 2.2507

D = -108 Gauss, E = 6 Gauss

Red: g x = 2.0527 g y = 2.0550 g z = 2.2507

D = 108 Gauss, E = -6 Gauss

To convert D, E from Gauss to cm

-1 multiply by 4.6686·10 -5

· 2.0023

For both simulated spectra:

Z axis of the zero-field splitting tensor parallel to g x A x = A y = 0, A z = 80 Gauss, A z parallel to g z

To convert A

i from Gauss to cm -1 multiply by 4.6686·10 -5

· g

i Isotropic line 40% Gaussian 60% Lorentzian, 20 Gauss width

Magnetic Induction, Tesla

2.95 3.00 3.05 3.10 3.15 3.20 3.25

10 K # Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2005 The 'perpendicular' region of the 10 K spectrum of 1 at 321.600 GHz Blue: experimental, Red and Green: spin-triplet spectra simulated with the following parameters: Red: g x = 2.0529 g y = 2.0548 g z = 2.2507

D = 108 Gauss, E = -6 Gauss

Green:

g x = 2.0529 g y = 2.0548 g z = 2.2507

D = -108 Gauss, E = 6 Gauss

To convert D, E from Gauss to cm

-1 multiply by 4.6686·10 -5

· 2.0023

For both simulated spectra:

Z axis of the zero-field splitting tensor parallel to g x A x = A y = 0, A z = 80 Gauss, A z parallel to g z

To convert A

i from Gauss to cm -1 multiply by 4.6686·10 -5

· g

i Isotropic line shape 40% Gaussian 60% Lorentzian, 20 Gauss width

Magnetic Induction, Tesla

11.16 11.17 11.1811.1911.2011.21 11.22

10 K # Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2005

X-Band (9.391 GHz) spectrum of 1 at 10 K.

Magnetic Induction, Tesla

0.26 0.28 0.300.320.34 0.36

10 K # Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2005

The 3.0 K spectrum of 1 at 92.767 GHz

Blue: experimental, Red: spin-doublet spectrum simulated with the following parameters: g x = 2.0512 g y = 2.0548 g z = 2.2480 A x =0, A y =0, A z =176 Gauss Anisotropic line width 50% Gaussian 50% Lorentzian, x=20 G, y=20 G, z=

Magnetic Induction, Tesla

2.90 2.95 3.00 3.053.103.153.20 3.25

3.0 K # Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2005 Magnetic susceptibility per ½ of the molar mass of 1

Temperature, K

10 6

χ, cgs emu

4.50 1019

5.00 945

5.50 889

6.00 861

7.00 869

8.00 990

9.00 1211

10.00 1522

12.00 2399

14.00 3312

16.00 4186

18.00 4936

20.00 5529

25.00 6392

30.00 6647

35.00 6564

40.00 6347

45.00 6074

50.00 5780

55.00 5492

60.00 5212

64.99 4951

70.00 4711

74.99 4489

79.99 4285

84.99 4098

89.99 3920

94.99 3763

100.00 3615

109.99 3348

119.99 3117

129.99 2917

139.99 2739

149.99 2580

159.98 2440

169.98 2316

179.98 2205

189.98 2103

199.98 2011

209.98 1928

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