Laser photolysis studies of ω-bond dissociation in aromatic carbonyls with a C–C triple bond stimulated by triplet sensitization

2017 ◽  
Vol 19 (26) ◽  
pp. 17028-17035 ◽  
Author(s):  
Minoru Yamaji ◽  
Ami Horimoto ◽  
Bronislaw Marciniak
Keyword(s):  
Carbonyl Compounds ◽  
Phenyl Ring ◽  
Triple Bond ◽  
Laser Photolysis ◽  
Phenyl Sulfide ◽  
Bond Dissociation

We have prepared three types of carbonyl compounds, benzoylethynylmethyl phenyl sulfide (2@SPh), (p-benzoyl)phenylethynylmethyl phenyl sulfide (3@SPh) andp-(benzoylethynyl)benzyl phenyl sulfide (4@SPh) with benzoyl and phenylthiylmethyl groups, which are interconnected with a C–C triple bond and a phenyl ring.

Time-resolved EPR and laser photolysis investigations of photoinduced ω-bond dissociation in an aromatic carbonyl compound having triplet π,π* character

2006 ◽  
Vol 417 (1-3) ◽  
pp. 211-216 ◽  
Author(s):  
Minoru Yamaji ◽  
Susumu Inomata ◽  
Satoru Nakajima ◽  
Kimio Akiyama ◽  
Shozo Tero-Kubota ◽  
...  
Keyword(s):  
Carbonyl Compound ◽  
Laser Photolysis ◽  
Time Resolved ◽  
Bond Dissociation

Laser photolysis studies of β-bond cleavage of phenacyl phenyl sulfide in acetonitrile

2006 ◽  
Vol 32 (8) ◽  
pp. 749-758 ◽  
Author(s):  
Minoru Yamaji ◽  
Sayaka Wakabayashi ◽  
Seiji Tobita
Keyword(s):  
Bond Cleavage ◽  
Laser Photolysis ◽  
Phenyl Sulfide

ADSORPTION STATES AND SITE CONVERSIONS OF PHENYLACETYLENE ON Si(100)2 × 1 CALCULATED BY DFT

2012 ◽  
Vol 11 (05) ◽  
pp. 1089-1099 ◽  
Author(s):  
MARILENA CARBONE ◽  
RUGGERO CAMINITI
Keyword(s):  
Functional Groups ◽  
Phenyl Ring ◽  
Triple Bond ◽  
Energy Barriers ◽  
Adsorption Sites ◽  
Bifunctional Molecule

The adsorption on Si(100)2 × 1 of PhenylAcetilene (PA), a bifunctional molecule with a phenyl ring and a triple bond, may occur through each group, selectively, or both functional groups simultaneously. The most favorable adsorption sites upon adsorption were calculated by DFT. Furthermore, several energy barriers were calculated: The ones connecting the physisorbed to the chemisorbed states, as well as the interconversion barriers of different chemisorbed states. The conversion of physisorbed-to-chemisorbed states has barriers of 0.11–0.19 eV. The barriers of sites inter-conversions are all higher (1.11–1.36 eV) and suggest a difficult post-chemisorption surface rearrangement.

Carbonyl compounds of Rh, Ir, and Mt: electronic structure, bonding and volatility

2020 ◽  
Vol 22 (33) ◽  
pp. 18681-18694
Author(s):  
M. Iliaš ◽  
V. Pershina
Keyword(s):  
Electronic Structure ◽  
Carbonyl Compounds ◽  
Relativistic Effects ◽  
Bond Dissociation Energies ◽  
Bond Dissociation ◽  
Dissociation Energies ◽  
Relativistic Dft

First bond dissociation energies and other properties have been predicted for carbonyl compounds of group-9 elements including those of element 109, Mt, from relativistic DFT and CC calculations. A remarkable Λ-shape of the trends is observed, caused by strong relativistic effects on the valence AOs of Mt.

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