Orientation and bonding of thiophene and 2,2′-bithiophene on Ag(111): a combined near edge extended X-ray absorption fine structure and Xα scattered-wave study

Adsorption of thiophene and pyridine on W(110)

“…The presence of these two additional multilayer desorption states suggests formation of a rather complicated multilayer structure, likely involving tilted thiophene. These TDS results are in general agreement with studies [18][19][20][21][22][23] of thiophene desorption from a variety of surfaces which have concluded that multilayer thiophene desorbs at temperatures lower than approximately 200 K.…”

Electronic Structure and Interface Properties of a Model Molecule for Organic Solar Cells

“…For thiophenes, the first transitions are associated to transitions into s* levels, while all higher energy features are associated with final states of p* character (including sulfur dlevels). [25][26][27] The expected lowest-lying S 2p 3/2 !LUMO is very weak for thiophenes due to the predominant p-character of the LUMO level. [25][26][27] Therefore, we predict for MTBT from the general selection rules that the first structure at 165.6 eV in the S 2p excitation spectrum of in Figure 3 (top) can be assigned to transitions from S 2p 3/2 into molecular levels with mainly s* character (a zoom into this region can be seen also in Figure 4 a).…”

“…In general, at lower photon energies, relatively sharp transitions into p* molecular levels are observed, whereas at higher energies, transitions occur into levels with mainly s* character. [24] Therefore, we assign, in analogy to thiophenes, [25][26][27] the structures at the lowest energies to transitions into the LUMO orbital and broad features above 290 eV in Figure 3 a to C 1s!s* transitions. In the range between 284 and 290 eV additional features apart from those of the thiophenes [25][26][27] are observed (in particular the most intense peak at 287.5 eV), which might be assigned to contributions from the benzothiadiazole part of the molecule.…”

Comparative Study of Tetrahydrothiophene and Thiophene Self Assembled Monolayers on Au(111): Structure and Molecular Orientation

“…The TP molecule has π-electrons, and the NEXAFS spectrum of the TP molecule in the gas phase and multilayer film shows a strong π* transition peak at 285.8 eV. 18,33,34 However, the spectrum of the TP SAMs shown in Figure 3b shows a much weaker peak at this energy. This means that the π-electron system of TP molecules is significantly modified on the Au(111) surface, indicating strong interaction between the π orbital and the Au surface.…”