Metallophilicity versus π-π Interactions: Argentophilicity in Porphyrin Dimer
نویسندگان
چکیده
The interaction between two unsupported Ag(III)porphyrins, which exist as a metalloporphyrin dimer has been studied. UV-visible spectrum shows only slight change in Soret band position indicative of Ag(III) formation. Optimized structure the complexes clearly revealed that metal-centered oxidation results short Ag-N (porphyrin) distance with large distortion porphyrin macrocycle. dispersion effect brings rings more closer to form an unprecedented Ag(III)···Ag(III) and cancel out π-π repulsion. energy was found be 55.34 Kcal/mol further supported by electron localization function, AIM analysis. also gives pink emission at low temperature. This type can exploited design several light responsive materials molecular semiconductors.
منابع مشابه
Hydrogen Bonding versus π-π Stacking Interactions in Imidazolium-Oxalatoborate Ionic Liquid.
Intermolecular features like hydrogen bonding and π-type interactions play pivotal roles in stabilizing molecular structures in ionic liquids with planar rings and hydrogen-bond donors and acceptors. However, the delicate interplay among these interactions is complicated and depends on specific ion types. In this work, ab initio molecular dynamics simulations were performed to reveal competitiv...
متن کاملTheoretical study of the effects of substituent and quadrupole moment on π-π stacking interactions with coronene
Stability of the π-π stacking interactions in the Ben||substituted-coronene and HFBen||substituted-coronene complexes was studied using the computational quantum chemistry methods (where Ben and HFBen are benzene and hexaflourobenzene, || denotes π-π stacking interaction, substituted-coronene is coronene molecule which substituted with four X groups, and X= NH2, CH3, OH, H, F, CF3, CN and NO). ...
متن کاملn→π* Interactions in Proteins
Hydrogen bonds between backbone amides are common in folded proteins. Here, we show that an intimate interaction between backbone amides also arises from the delocalization of a lone pair of electrons (n) from an oxygen atom to the antibonding orbital (pi*) of the subsequent carbonyl group. Natural bond orbital analysis predicted significant n-->pi* interactions in certain regions of the Ramach...
متن کامل0 Observation of the φ → π + π − π + π − Decay
Using 11.6 pb of data collected in the energy range 0.984–1.06 GeV by CMD-2 at VEPP-2M, the cross section of the reaction e+e− → π+π−π+π− has been studied. For the first time an interference pattern was observed in the energy dependence of the cross section near the φ meson. The branching ratio of the φ → π+π−π+π− decay double suppressed by the G-parity and OZI rule is measured Br(φ → ππππ) = (...
متن کاملAdditivity of Cation-π Interactions: An ab Initio Computational Study on π-Cation-π Sandwich Complexes
Center for Drug DiscoVery and Design, State Key Laboratory of New Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes of Biological Sciences, Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Shanghai, 201203, P. R. China, Technology Centre for Life Sciences, Singapore Polytechnic, 500 DoVer Road, Singapore 139651, Department of Neurobiology, Weizmann Institute of Science...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Asian Journal of Chemistry
سال: 2022
ISSN: ['0970-7077', '0975-427X']
DOI: https://doi.org/10.14233/ajchem.2022.23514