Theoretical optimization of triphenylamine geometry, carried out at DFT(B3LYP) level using 6-31G** and aug-cc-pVDZ basis sets, predicted a propeller-like structure of the compound with D3 overall symmetry. In this structure, the central NCCC atoms are coplanar and the phenyl rings are symmetrically twisted from this plane by 41.5° (6-31G**) or 41.6° (aug-cc-pVDZ). The experimental FTIR spectrum of triphenylamine monomers isolated in an argon matrix was measured and interpreted by comparison with theoretical spectra calculated at the DFT(B3LYP) level with 6-31G** or aug-cc-pVDZ basis sets. The good agreement between the experimental and theoretical spectra allowed a positive assignment of the observed infrared absorption bands. Conformationa...
Herein is reported the preparation of a new triphenylamine derivative, the tris(´4-formylbiphenyl- ...
Phenylmethanimine is an aromatic imine with a twofold relevance in chemistry: organic synthesis and ...
C19H160 , Mr = 260.3, trigonal, R3, a = 19.307 (3), c = 26.735 (4) A, V= 8631 (2) A 3, Z= 24, Dx =...
Theoretical optimization of triphenylamine geometry, carried out at DFT(B3LYP) level using 6-31G** a...
A series of triphenylamine derivatives bearing a methoxycarbonyl group on the benzene ring was synth...
Laser‐desorption jet‐cooling has been applied in combination with mass‐selective gas‐phase spectrosc...
Both vibrationally and rotationally resolved spectra of the S1←S0 transition in jet-cooled triphenyl...
The starburst π-conjugated molecule 4,4′,4′′-tris(N-3-methylphenyl-N-phenyl-amino)triphenylamine (C5...
The effect of ionization by oxidation and protonation on the structure and IR spectrum of isolated, ...
Linear and nonlinear optical properties of experimentally synthesized triphenylamine–indandione chro...
International audienceA series of five octupolar molecules with central triphenylamine donor and per...
Triphenylene (C18H12) is a highly symmetric polycyclic aromatic hydrocarbon (PAH) molecule with a ‘f...
Density functional theory, B3-LYP with the 6-31G* basis set was applied to study the structures and ...
Triphenylene (C18H12) is a highly symmetric polycyclic aromatic hydrocarbon (PAH) molecule with a ‘f...
[[abstract]]Recently, triphenylamine (TPA), 4,4′-bis(phenyl-m-tolylamino)biphenyl (TPD), 4,4′-bis(1-...
Herein is reported the preparation of a new triphenylamine derivative, the tris(´4-formylbiphenyl- ...
Phenylmethanimine is an aromatic imine with a twofold relevance in chemistry: organic synthesis and ...
C19H160 , Mr = 260.3, trigonal, R3, a = 19.307 (3), c = 26.735 (4) A, V= 8631 (2) A 3, Z= 24, Dx =...
Theoretical optimization of triphenylamine geometry, carried out at DFT(B3LYP) level using 6-31G** a...
A series of triphenylamine derivatives bearing a methoxycarbonyl group on the benzene ring was synth...
Laser‐desorption jet‐cooling has been applied in combination with mass‐selective gas‐phase spectrosc...
Both vibrationally and rotationally resolved spectra of the S1←S0 transition in jet-cooled triphenyl...
The starburst π-conjugated molecule 4,4′,4′′-tris(N-3-methylphenyl-N-phenyl-amino)triphenylamine (C5...
The effect of ionization by oxidation and protonation on the structure and IR spectrum of isolated, ...
Linear and nonlinear optical properties of experimentally synthesized triphenylamine–indandione chro...
International audienceA series of five octupolar molecules with central triphenylamine donor and per...
Triphenylene (C18H12) is a highly symmetric polycyclic aromatic hydrocarbon (PAH) molecule with a ‘f...
Density functional theory, B3-LYP with the 6-31G* basis set was applied to study the structures and ...
Triphenylene (C18H12) is a highly symmetric polycyclic aromatic hydrocarbon (PAH) molecule with a ‘f...
[[abstract]]Recently, triphenylamine (TPA), 4,4′-bis(phenyl-m-tolylamino)biphenyl (TPD), 4,4′-bis(1-...
Herein is reported the preparation of a new triphenylamine derivative, the tris(´4-formylbiphenyl- ...
Phenylmethanimine is an aromatic imine with a twofold relevance in chemistry: organic synthesis and ...
C19H160 , Mr = 260.3, trigonal, R3, a = 19.307 (3), c = 26.735 (4) A, V= 8631 (2) A 3, Z= 24, Dx =...