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N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi...

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N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia
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Page 1: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

N.O.E. lesson 3 module 2

The Nuclear Overhauser Effect

Prof. Claudio Santi

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

Page 2: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

N.O.E.

Introduction

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

Page 3: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Introduction “steady-state”

Page 4: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Introduction “steady-state”

Page 5: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Introduction “steady-state”

Page 6: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Introduction “stady-state”

Page 7: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Introduction “stady-state”

Influence of magnetic field

Page 8: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Introduction “stady-state”

Influence of external relaxation sources

Page 9: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Introduction “stady-state”

Page 10: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Introduction “stady-state”

Page 11: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Introduction “stady-state”

Page 12: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Introduction “stady-state”

Page 13: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Introduction “NOE-diff”

Page 14: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Example “NOE-diff”

Page 15: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Example “stady-state”

Page 16: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Example “stady-state”

Page 17: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Example “stady-state”Geometry of trisobstituted olefines

Page 18: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Example “stady-state”Geometry of heterocycles

Page 19: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Example “stady-state”When the coupling costants are not determinant

Page 20: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Example “stady-state”Sometimes it is not usefull

Page 21: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Example “stady-state”Attribution of the faces in cyclic compounds

Page 22: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Example “stady-state”Attribution of the faces in cyclic compounds

Page 23: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Example “stady-state”Assignment of similar groups

Page 24: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Example “stady-state”Conformational analysis

Page 25: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Transient NOE

s

I

s

II

II

ss

s

I

NOE

Page 26: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. Transient NOE and Distances

Page 27: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. NOESY

Page 28: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. NOESY

Page 29: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. ROESY

Page 30: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. ROESY

Page 31: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. ROESY

Page 32: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Additional slidesnot for the presentation

Page 33: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E.

ADDITIONAL

Page 34: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E.

ADDITIONAL

Page 35: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E.

ADDITIONAL

Page 36: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E.

ADDITIONAL

Page 37: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E.

ADDITIONAL

Page 38: N.O.E. lesson 3 module 2 The Nuclear Overhauser Effect Prof. Claudio Santi Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University.

Prof. Claudio Santi Dipartment of Chemistry and Technology of Drugs University of Perugia

N.O.E. ADDITIONAL


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