Absence of photoelectron spectroscopic evidence for ‘‘proton tunneling’’ in the cation ground state of jet‐cooled tropolone

1991 ◽  
Vol 95 (12) ◽  
pp. 9401-9403 ◽  
Author(s):  
H. Ozeki ◽  
M. Takahashi ◽  
K. Okuyama ◽  
K. Kimura
Keyword(s):  
Ground State ◽  
Proton Tunneling ◽  
Spectroscopic Evidence

Photoelectron spectroscopic evidence concerning ground-state through-σ-bond interaction in the 1,3-diaza-adamantan-6-one system

1974 ◽  
Vol 0 (18) ◽  
pp. 725-726 ◽  
Author(s):  
Tadashi Sasaki ◽  
Shoji Eguchi ◽  
Tsutomo Kiriyama ◽  
Yoji Sakito ◽  
Hiroshi Kato
Keyword(s):  
Ground State ◽  
Spectroscopic Evidence ◽  
Bond Interaction

Spectroscopic Evidence for a Triplet Ground State in the Naphthyl Cation

2011 ◽  
Vol 123 (31) ◽  
pp. 7142-7145 ◽  
Author(s):  
Héctor Alvaro Galué ◽  
Jos Oomens
Keyword(s):  
Ground State ◽  
Triplet Ground State ◽  
Spectroscopic Evidence

Proton transfer processes in selenourea: UV-induced selenone→selenol photoreaction and ground state selenol→selenone proton tunneling

2004 ◽  
Vol 298 (1-3) ◽  
pp. 223-232 ◽  
Author(s):  
Hanna Rostkowska ◽  
Leszek Lapinski ◽  
Artem Khvorostov ◽  
Maciej J. Nowak
Keyword(s):  
Proton Transfer ◽  
Ground State ◽  
Proton Tunneling ◽  
Transfer Processes

An ab initio study of the structure and intramolecular proton transfer in tropolone

1991 ◽  
Vol 69 (2) ◽  
pp. 201-204 ◽  
Author(s):  
Miguel A. Ríos ◽  
Jesús Rodríguez
Keyword(s):  
Proton Transfer ◽  
Ab Initio ◽  
Ground State ◽  
Vibrational State ◽  
Intramolecular Proton Transfer ◽  
Ab Initio Study ◽  
Proton Tunneling ◽  
Full Optimization ◽  
Minimum Potential ◽  
Intramolecular Hydrogen

An ab initio study of tropolone was carried out at the 3-21G level, with full optimization of the geometry, and the intramolecular proton transfer in the ground state was analysed. The two equivalent Cs structures can be converted to each other via a C2v symmetry transition state with a double minimum potential. The splitting of the ground vibrational state generated by proton tunneling was determined by procedures of variable complexity and found to be in the range Δ = 0.1–0.15 cm−1, i.e., clearly smaller than experimental predictions. Key words: tropolone, intramolecular hydrogen bond, proton transfer, ab initio calculations, molecular structure.

Spectroscopic Evidence for a 3d10 Ground State Electronic Configuration and Ligand Field Inversion in [Cu(CF3)4]1–

2016 ◽  
Vol 138 (6) ◽  
pp. 1922-1931 ◽  
Author(s):  
Richard C. Walroth ◽  
James T. Lukens ◽  
Samantha N. MacMillan ◽  
Kenneth D. Finkelstein ◽  
Kyle M. Lancaster
Keyword(s):  
Ground State ◽  
Electronic Configuration ◽  
Ligand Field ◽  
Spectroscopic Evidence ◽  
Field Inversion
Sign in / Sign up

Export Citation Format

Share Document