UV/vis Spectroscopy = Electronic Spectroscopy
This presentation is the property of its rightful owner.
Sponsored Links
1 / 33

UV/vis Spectroscopy = Electronic Spectroscopy What does it monitor / probe? PowerPoint PPT Presentation


  • 59 Views
  • Uploaded on
  • Presentation posted in: General

UV/vis Spectroscopy = Electronic Spectroscopy What does it monitor / probe? What information about molecule can one obtain?. 1 H NMR: what do you expect to see?. a. a. b. b. c. c. Expected: 3 resonances, 2 -CH 3 (a & c with 6H) and 1 H (b)

Download Presentation

UV/vis Spectroscopy = Electronic Spectroscopy What does it monitor / probe?

An Image/Link below is provided (as is) to download presentation

Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author.While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server.


- - - - - - - - - - - - - - - - - - - - - - - - - - E N D - - - - - - - - - - - - - - - - - - - - - - - - - -

Presentation Transcript


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

UV/vis Spectroscopy = Electronic Spectroscopy

What does it monitor / probe?

What information about molecule can one obtain?


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

1H NMR: what do you expect to see?


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

a

a

b

b

c

c

Expected: 3 resonances, 2 -CH3 (a & c with 6H) and 1 H (b)

( B-H not visible due to broadening)

… plus H’s on cation TEA = [N(CH2CH3)4]+


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

1H NMR: what do you expect to see?

[Tp*Mo(S)(S4)]—


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

d

e

f

a

b

c

a

b

c

a

c

f

d

b

e

Mo=S

Mo=O

TEA+

-CH3

TEA+

-CH2-


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

d

e

Mo=S

Mo=O

f

a

b

c

a

TEA+

-CH3

b

c

TEA+

-CH2-

a

c

b

d

e

f


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

R1 ≠ R2: How many H’s expected in NMR from pyrazole rings?

All -methyl and ring H’s will be unique: see 6 -Me and 3 ring H


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

Mass Spectometry Facility

Dr. Arpad Somogyi


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

Electrospray Ionization Mass Spectrometry ESI-MS

black box

Molecules in gas phase as ions + or -

magnetic field

separates

light and heavy

mass ions

mass

detector


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

Electron impact ionization


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

Electrospray ionization method

Electric potential

creates + and - ions

makes tiny droplets

Vacuum removes solvent


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

All Mo molecules are identified

by a characteristic series of lines:

Mo isotopes: 92Mo, 94Mo, 95Mo, 96Mo, 97Mo, 98Mo,


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

YELLOW (calculated mass spectrum)

MassRelative abundance

474.000 6.12

476.000 8.84

477.000 7.34

478.000 11.91

479.000 10.57

480.000 17.08

482.000 14.14

481.000 7.06

484.000 6.00

483.000 3.06

486.000 1.29

485.000 0.94

488.000 0.14

475.000 0.88

487.000 0.18

489.000 0.02

490.000 0.01


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

RED (calculated mass spectrum)

MassRelative abundance

404.000 11.48

406.000 8.72

407.000 12.64

408.000 15.04

409.000 10.98

410.000 20.73

412.000 10.58

411.000 4.24

414.000 1.58

405.000 1.66

413.000 1.55

415.000 0.21

416.000 0.10

417.000 0.01

418.000 0.00


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

BLUE (calculated mass spectrum)

MassRelative abundance

468.000 10.36

470.000 8.81

471.000 11.67

472.000 14.47

473.000 11.15

474.000 20.10

476.000 11.30

475.000 5.04

478.000 2.33

469.000 1.66

477.000 1.93

479.000 0.35

480.000 0.24

481.000 0.03

482.000 0.01

483.000 0.00


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

PURPLE (calculated mass spectrum)

MassRelative abundance

824.000 1.32

826.000 2.03

827.000 3.18

828.000 4.63

829.000 5.22

830.000 9.33

832.000 11.22

831.000 7.37

834.000 10.77

833.000 9.98

835.000 8.87

836.000 9.11

837.000 5.00

838.000 5.46

840.000 1.99

839.000 1.99

842.000 0.43

841.000 0.58

844.000 0.06


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

Y

R

P

More lines, more Mo atoms

B

All have one Mo atom


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

RED mass spectrum

409.6


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

YELLOW mass spectrum

444.6


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

BLUEfull mass spectrum


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

YELLOW (high mass species)


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

Accurate mass : 540.019287 for Modetc3

MassRelative abundance

536.000 9.82

538.000 8.43

539.000 11.53

540.000 14.33

541.000 11.33

542.000 19.63

544.000 10.96

537.000 2.13

543.000 5.83

545.000 2.42

546.000 2.30

547.000 0.45

548.000 0.25

549.000 0.04

550.000 0.02

551.000 0.00

Accurate mass : 556.014160 for MoOdetc3

MassRelative abundance

552.000 9.80

554.000 8.44

555.000 11.51

556.000 14.32

557.000 11.33

558.000 19.62

560.000 10.98

559.000 5.85

562.000 2.32

553.000 2.12

561.000 2.43

563.000 0.46

564.000 0.25

565.000 0.04

566.000 0.02

567.000 0.00


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

MoOdetc2: Mo1S4O1N2C10H20mass: 408.48 g/mol

MoOdetc2. NCCH3: Mo1S4O1N3C12H23mass: 449.53 g/mol

MoOCl2detc2: MoCl2S4O1N2C10H20mass: 479.38 g/mol

Mo2O3detc4: Mo2S8O3N4C20H40mass: 832.96 g/mol

MoOS2detc2: MoS6ON2C10H20mass: 472.61 g/mol


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

MoOCl2detc2: MoCl2S4O1N2C10H20

Accurate mass : 478.893738

MassRelative abundance

474.000 6.12

476.000 8.84

477.000 7.34

478.000 11.91

479.000 10.57

480.000 17.08

482.000 14.14

481.000 7.06

484.000 6.00

483.000 3.06

486.000 1.29

485.000 0.94

488.000 0.14

475.000 0.88

487.000 0.18

489.000 0.02

490.000 0.01


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

MoOdetc2: Mo1S4O1N2C10H20

Accurate mass : 407.987732

MassRelative abundance

404.000 11.48

406.000 8.72

407.000 12.64

408.000 15.04

409.000 10.98

410.000 20.73

412.000 10.58

411.000 4.24

414.000 1.58

405.000 1.66

413.000 1.55

415.000 0.21

416.000 0.10

417.000 0.01

418.000 0.00


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

Mo2O3detc4: Mo2S8O3N4C20H40

Accurate mass : 831.970276

MassRelative abundance

824.000 1.32

826.000 2.03

827.000 3.18

828.000 4.63

829.000 5.22

830.000 9.33

832.000 11.22

831.000 7.37

834.000 10.77

833.000 9.98

835.000 8.87

836.000 9.11

837.000 5.00

838.000 5.46

840.000 1.99

839.000 1.99

842.000 0.43

841.000 0.58

844.000 0.06


Uv vis spectroscopy electronic spectroscopy what does it monitor probe

MoOS2detc2: MoS6ON2C10H20

Accurate mass : 471.931763

MassRelative abundance

468.000 10.36

470.000 8.81

471.000 11.67

472.000 14.47

473.000 11.15

474.000 20.10

476.000 11.30

475.000 5.04

478.000 2.33

469.000 1.66

477.000 1.93

479.000 0.35

480.000 0.24

481.000 0.03

482.000 0.01

483.000 0.00


  • Login