Open‐Shell Nanosensitizers for Glutathione Responsive Cancer Sonodynamic Therapy
Sign Up to like & getrecommendations! Published in 2022 at "Advanced Materials"
DOI: 10.1002/adma.202110283
Abstract: Deleterious effects to normal tissues and short biological half‐life of sonosensitizers limit the applications of sonodynamic therapy (SDT). Herein, a new sonosensitizer (Cu(II)NS) is synthesized that consists of porphyrins, chelated Cu2+, and poly(ethylene glycol) (PEG)… read more here.
Keywords: shell nanosensitizers; sonodynamic therapy; cancer; open shell ... See more keywords
Imidazolyl-Substituted Benzo- and Naphthodithiophenes as Precursors for the Synthesis of Transient Open-Shell Quinoids.
Sign Up to like & getrecommendations! Published in 2023 at "ChemistryOpen"
DOI: 10.1002/open.202300003
Abstract: The synthesis of three novel imidazolyl-substituted sulfur-containing heteroacenes is reported. These heteroacenes consisting of annelated benzo- and naphthothiophenes serve as precursors for the generation of open-shell quinoid heteroacenes by oxidation with alkaline ferric cyanide. Spectroscopic… read more here.
Keywords: shell quinoids; benzo naphthodithiophenes; open shell; substituted benzo ... See more keywords
Singlet open-shell diradical nature and redox properties of conjugated carbonyls: a quantum chemical study
Sign Up to like & getrecommendations! Published in 2017 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-017-2061-7
Abstract: In the present work, a set of 90 conjugated carbonyls based on cyclic hydrocarbons with different ring sizes are studied by means of theoretical methods of quantum chemistry in order to analyze their singlet open-shell… read more here.
Keywords: chemistry; diradical character; singlet open; open shell ... See more keywords
Open-shell nature of non-IPR fullerene С40: isomers 29 (C2) and 40 (Td)
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-04625-9
Abstract: It is well-known that the small non-IPR fullerenes Cn (n read more here.
Keywords: non ipr; isomers open; fullerene; shell nature ... See more keywords
Molecular design of ambipolar redox-active open-shell molecules: Principles and implementations
Sign Up to like & getrecommendations! Published in 2020 at "Current Opinion in Electrochemistry"
DOI: 10.1016/j.coelec.2020.05.006
Abstract: Abstract The mini-review highlights key structural features and provides guidelines for the molecular design of ambipolar redox-active frameworks, which are of interest for the fabrication of all-organic ‘poleless’ batteries and semiconductors. Open-shell molecules that can… read more here.
Keywords: open shell; molecular design; redox; redox active ... See more keywords
Collisional rate coefficients of SiH(X2Π) open-shell molecule induced by its collision with He(1S)
Sign Up to like & getrecommendations! Published in 2017 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2016.12.018
Abstract: Abstract New adiabatic potential energy surfaces (PESs) for 2 A ′ and 2 A ″ states of SiH(X 2 Π )-He( 1 S ) complex have been calculated at the restricted coupled cluster level of… read more here.
Keywords: rate coefficients; rate; collisional rate; sih open ... See more keywords
Rovibrational spectrum and structure of the NO(X2Π)–CO2 open-shell complex
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Spectroscopy"
DOI: 10.1016/j.jms.2020.111393
Abstract: Abstract The rovibrational spectrum of the NO(X2Π)–CO2 open-shell complex has been measured in the fundamental band region of NO using an infrared laser absorption spectrometer. Geometry optimizations at restricted configurations with a Cs symmetry at… read more here.
Keywords: co2 open; rovibrational spectrum; co2; shell complex ... See more keywords
Synthesis of Bicyclic P,S-Heterocycles via the Addition of Thioketones to a Phosphorus-Centered Open-Shell Singlet Biradical.
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.1c03207
Abstract: Formal addition reactions between the open-shell singlet biradical [P(μ-NTer)]2 (1Ter) and xanthione, thioxanthione, as well as ferrocenyl naphthyl thioketone were studied in detail. Reactions were performed at room temperature and led to the formation of… read more here.
Keywords: addition; shell singlet; thioketone; open shell ... See more keywords
Open-Shell Germylene Stabilized by a Phenalenyl-Based Ligand.
Sign Up to like & getrecommendations! Published in 2023 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.3c00583
Abstract: An open-shell germylene 1 stabilized by a phenalenyl-based bidentate ligand was synthesized and characterized. Because of the high thermal stability originating from spin delocalization over the phenalenyl moiety, it was possible to isolate compound 1… read more here.
Keywords: shell germylene; germylene stabilized; stabilized phenalenyl; open shell ... See more keywords
Molecular and Electronic Structures of Ruthenium Complexes Containing an ONS-Coordinated Open-Shell π Radical and an Oxidative Aromatic Ring Cleavage Reaction.
Sign Up to like & getrecommendations! Published in 2017 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.6b02862
Abstract: The coordination chemistry of 2,4-di-tert-butyl-6-[(2-mercaptophenyl)amino]phenol (LONSH3), which was isolated as a diaryl disulfide form, (LONSH2)2, with a Ru ion is disclosed. It was established that the trianionic LONS3- is redox-noninnocent and undergoes oxidation to either… read more here.
Keywords: ruii lons; pph3; chemistry; reaction ... See more keywords
Linear-Scaling Open-Shell MP2 Approach: Algorithm, Benchmarks, and Large-Scale Applications
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.1c00093
Abstract: A linear-scaling local second-order Møller–Plesset (MP2) method is presented for high-spin open-shell molecules based on restricted open-shell (RO) reference functions. The open-shell local MP2 (LMP2) approach inherits the iteration- and redundancy-free formulation and the completely… read more here.
Keywords: scaling open; shell mp2; linear scaling; shell ... See more keywords