Highly Efficient and Selective Photocatalytic CO2 Reduction to CO in Water by a Cobalt Porphyrin Molecular Catalyst

A Call, M Cibian, K Yamamoto, T Nakazono… - Acs …, 2019 - ACS Publications
The performance of a water-soluble cobalt porphyrin ([{meso-tetra (4-sulfonatophenyl)
porphyrinato} cobalt (III)], CoTPPS) as a catalyst for the photoreduction of CO2 in fully …

Application of quantum chemical methods in polymer chemistry

F Ruiperez - International Reviews in Physical Chemistry, 2019 - Taylor & Francis
The rapid development of computational hardware and software, as well as the advances in
new theoretical methodologies have allowed quantum chemistry, in particular density …

[HTML][HTML] Programming DNA origami patterning with non-canonical DNA-based metallization reactions

S Jia, J Wang, M Xie, J Sun, H Liu, Y Zhang… - Nature …, 2019 - nature.com
The inherent specificity of DNA sequence hybridization has been extensively exploited to
develop bioengineering applications. Nevertheless, the structural potential of DNA has been …

A density functional theory study on complexation processes and intermolecular interactions of triptycene-derived oxacalixarenes

Z Jia, H Pang, H Li, X Wang - Theoretical Chemistry Accounts, 2019 - Springer
Triptycene-derived oxacalixarenes (TP) exhibit two different conformations: cis-isomer (TPA)
and trans-isomer (TPB). The geometries structures were optimized by the density functional …

Insights from experiment and theory into the electrochemical reduction mechanism of graphene oxide

AG Marrani, A Motta, R Schrebler, R Zanoni… - Electrochimica …, 2019 - Elsevier
A combined experimental and theoretical investigation approach has been applied to the
electrochemical reduction of graphene oxide (GO) in order to unravel the corresponding …

New class of homoleptic and heteroleptic bis (terpyridine) iridium (III) complexes with strong photodynamic therapy effects

B Liu, S Monro, Z Li, MA Jabed, D Ramirez… - ACS applied bio …, 2019 - ACS Publications
Six homo-or heteroleptic tricationic Ir (R1-tpy)(R2-tpy) 3+ complexes (Ir1–Ir6, R1/R2= Ph,
4′-N (CH3) 2Ph, pyren-1-yl, or 4′-{2-[2-(2-methoxyethoxy) ethoxy] ethoxy} Ph, tpy= 2, 2′; …

A fluorescent bichromophoric “off-on-off” pH probe as a molecular logic device (half-subtractor and digital comparator) operating by controlled PET and ICT processes

AI Said, NI Georgiev, VB Bojinov - Dyes and Pigments, 2019 - Elsevier
Abstract New “off-on-off” pH chemosensing bichromophore based on 2-
hydroxyphenylhydrazone and 1, 8-naphthalimide is synthesized. The probe, designed to …

Modulation of fluorescence sensing properties of quinoline-based chemosensor for Zn2+: Application in cell imaging studies

D Maity, A Mukherjee, SK Mandal, P Roy - Journal of Luminescence, 2019 - Elsevier
An electron pushing group has been introduced to a Schiff-base compound, 2-((2-(quinolin-
2-yl) hydrazono) methyl) phenol (HQP) to get another Schiff-base molecule, namely, 4 …

Synthesis, Structure, and Bonding Analysis of Tin (II) Dihalide and Cyclopentadienyltin (II) Halide (Alkyl)(amino) carbene Complexes

C Müller, DM Andrada, IA Bischoff, M Zimmer… - …, 2019 - ACS Publications
Tin (II) dibromide, 2b, and cyclopentadienyltin (II) chloride, 2c, and cyclopentadienyltin (II)
bromide, 2d, were reacted with cyclic (alkyl)(amino) carbene (cAAC), 1, to give the …

Neutral cyclometalated iridium (III) complexes bearing substituted N-heterocyclic carbene (NHC) ligands for high-performance yellow OLED application

B Liu, MA Jabed, J Guo, W Xu, SL Brown… - Inorganic …, 2019 - ACS Publications
The synthesis, crystal structure, and photophysics of a series of neutral cyclometalated
iridium (III) complexes bearing substituted N-heterocyclic carbene (NHC) ancillary ligands …