1. Infrared and Electronic Spectroscopy of [C6H6(NH3)n]+ :
61st OHIO STATE UNIVERSITY INTERNATIONAL SYMPOSIUM
ON MOLECULAR SPECTROSCOPY
Infrared and Electronic Spectroscopy of [C6H6(NH3)n]+ :
Identification of the Nucleophilic Substitution Intermediate
Having a Newly Formed C-N Valence Bond
Kenta Mizuse, Asuka Fujii, and Naohiko Mikami

2. Background

3. Background

4. This study
The experimental determination of the structure of [C6H6(NH3)n]+ (n=1-5) , especially of the n=1 cluster
“cyclohexadienyl” or not ?
Method
Infrared and electronic photodissociation spectroscopy of [C6H6(NH3)n]+ (n=1-5)
Infrared; C-H and N-H stretch region cm-1
Electronic; visible region cm-1

5. Experiments ~Photodissociation Spectroscopy~

6. Mass spectrum of the cluster ion source

7. IR and Electronic Spectra of [C6H6(NH3)n]+ (n=1-5)

8. Spectra of [C6H6(NH3)1]+

9. Structure of [C6H6(NH3)1]+

10. [C6H6(NH3)2]+

11. [C6H6(NH3)n]+ (n=3-5)

12. ･Infrared and Electronic photodissociation spectroscopy
Summary
･Infrared and Electronic photodissociation spectroscopy
was applied to [C6H6(NH3)n]+ (n=1-5) .
･For the n=1 cluster, both the observed spectra indicated
that a new C-N valence bond is formed resulting in
the cyclohexadienyl type structure.
･The cyclohexadienyl type cluster can be regarded as
the prototype of intermediate in the nucleophilic
substitution reactions. +