The state‐of‐the‐art density functional theory (DFT) has become an essential tool for the
investigation and development of molecular electronics at the electronic and atomic level. In …

We address the double hydrogen transfer (DHT) dynamics of the porphycene molecule, a
complex paradigmatic system in which the making and breaking of H-bonds in a highly …

Quantum tunneling of hydrogen atoms (or protons) plays a crucial role in many chemical
and biological reactions. Although tunneling of a single particle has been examined …

Prototypical molecular switches such as azobenzenes exhibit two states, ie, trans and cis,
with different characteristic physical properties. In recent years various derivatives were …

The temperature dependence of vibrational spectra can provide information about structural
changes of a system and also serve as a probe to identify different vibrational mode …

METHODS All experiments were performed in an ultra-high vacuum chamber (base
pressure of 10− 10 mbar), equipped with a low-temperature STM (modified Omicron …

We have designed and synthesized 3, 6, 13, 16-tetrapropylporphycene for the first time as its
alkyl analogue from ethyl 4-propyl-1 H-pyrrole-2-carboxylate. The substituent effect was …

Two porphycenes, substituted at the meso positions with two and four methyl groups,
respectively, reveal similar absorption spectra, but their photophysical properties are …

Porphycene, a porphyrin isomer, is an efficient fluorophore. However, four‐fold meso
substitution with alkyl groups decreases the fluorescence quantum yield by orders of …

We have introduced the first 3, 6, 13, 16-tetrasubstituted porphycene as its tetramethoxy
analogue. This substitution pattern is one of the most general patterns yet missing in this …