Cargando…

Changes in Structure and Reactivity of Ng(2) Encapsulated in Fullerenes: A Density Functional Theory Study

Noble gas can be no noble in certain situations from the perspective of structure, bonding, and reactivity. These situations could be extreme experimental conditions or others. In this contribution, we systematically investigate the impact of fullerene encapsulation on molecular structure and chemic...

Descripción completa

Detalles Bibliográficos
Autores principales:	Li, Meng, He, Xin, Wang, Bin, Zhao, Dongbo, Rong, Chunying, Chattaraj, Pratim K., Liu, Shubin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7350904/ https://www.ncbi.nlm.nih.gov/pubmed/32719776 http://dx.doi.org/10.3389/fchem.2020.00566

Ejemplares similares

Toward Understanding the Isomeric Stability of Fullerenes with Density Functional Theory and the Information-Theoretic Approach
por: Zhao, Dongbo, et al.
Publicado: (2018)

Conceptual density functional theory based electronic structure principles
por: Chakraborty, Debdutta, et al.
Publicado: (2021)

Editorial: “Changing the Perspective of the Noble Gas Reactivity”
por: Pan, Sudip, et al.
Publicado: (2021)

Exploring the Nature of Silicon-Noble Gas Bonds in H(3)SiNgNSi and HSiNgNSi Compounds (Ng = Xe, Rn)
por: Pan, Sudip, et al.
Publicado: (2015)

Atomic Clusters: Structure, Reactivity, Bonding, and Dynamics
por: Pal, Ranita, et al.
Publicado: (2021)

Molecular interactions from the density functional theory for chemical reactivity: Interaction chemical potential, hardness, and reactivity principles
por: Miranda-Quintana, Ramón Alain, et al.
Publicado: (2022)

Gram-scale synthesis of a covalent nanocage that preserves the redox properties of encapsulated fullerenes
por: Rothschild, Daniel A., et al.
Publicado: (2022)

Noble Gas Binding Ability of an Au(I) Cation Stabilized by a Frustrated Lewis Pair: A DFT Study
por: Ghara, Manas, et al.
Publicado: (2020)

Comparison Between Electride Characteristics of Li(3)@B(40) and Li(3)@C(60)
por: Das, Prasenjit, et al.
Publicado: (2021)

Improving the molecular spin qubit performance in zirconium MOF composites by mechanochemical dilution and fullerene encapsulation
por: Vujević, Lucija, et al.
Publicado: (2023)

Metal oxide adsorption on fullerene C(60) and its potential for adsorption of pollutant gases; density functional theory studies
por: Haghgoo, Sanaz, et al.
Publicado: (2021)

Molecular Interactions From the Density Functional Theory for Chemical Reactivity: The Interaction Energy Between Two-Reagents
por: Miranda-Quintana, Ramón Alain, et al.
Publicado: (2022)

Excited-State Polarizabilities: A Combined Density Functional Theory and Information-Theoretic Approach Study
por: Zhao, Dongbo, et al.
Publicado: (2023)

Nuclear quantum effects in fullerene–fullerene aggregation in water
por: Panahian Jand, Sara, et al.
Publicado: (2022)

Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities
por: Yamamura, Masaki, et al.
Publicado: (2015)

Fullerene soot and a fullerene nanodispersion as recyclable heterogeneous off-the-shelf photocatalysts
por: Jozeliūnaitė, Augustina, et al.
Publicado: (2021)

Modified Particle Swarm Optimization Algorithms for the Generation of Stable Structures of Carbon Clusters, C(n) (n = 3–6, 10)
por: Jana, Gourhari, et al.
Publicado: (2019)

A new family of fullerene derivatives: fullerene-curcumin conjugates for biological and photovoltaic applications
por: Castro, Edison, et al.
Publicado: (2018)

A Density Functional Theory and Information-Theoretic Approach Study of Interaction Energy and Polarizability for Base Pairs and Peptides
por: Zhao, Dongbo, et al.
Publicado: (2022)

Fullerenes
por: Ehrenreich, Henry, et al.
Publicado: (1994)

Base-iodine-promoted metal-catalyst-free reactions of [60]fullerene with β-keto esters for the selective formation of [60]fullerene derivatives
por: Yang, Han-Lin, et al.
Publicado: (2020)

Noble gas endohedral fullerenes
por: Jalife, Said, et al.
Publicado: (2020)

Correction: A new family of fullerene derivatives: fullerene–curcumin conjugates for biological and photovoltaic applications
por: Castro, Edison, et al.
Publicado: (2019)

Reactions of [60]fullerene with alkynes promoted by OH(−)
por: Chang, Wei-Wei, et al.
Publicado: (2022)

Synthesis and Properties of Open Fullerenes Encapsulating Ammonia and Methane
por: Bloodworth, Sally, et al.
Publicado: (2018)

Transformation of doped graphite into cluster-encapsulated fullerene cages
por: Mulet-Gas, Marc, et al.
Publicado: (2017)

Probing the interaction between the encapsulated water molecule and the fullerene cages in H(2)O@C(60)(–) and H(2)O@C(59)N(–)
por: Zhu, Guo-Zhu, et al.
Publicado: (2018)

Correction: Reactions of [60]fullerene with alkynes promoted by OH(−)
por: Chang, Wei-Wei, et al.
Publicado: (2022)

A faux hawk fullerene with PCBM-like properties
por: San, Long K., et al.
Publicado: (2015)

Electrical detection of ortho–para conversion in fullerene-encapsulated water
por: Meier, Benno, et al.
Publicado: (2015)

A retro Baeyer–Villiger reaction: electrochemical reduction of [60]fullerene-fused lactones to [60]fullerene-fused ketones
por: Niu, Chuang, et al.
Publicado: (2019)

Metallofullerene photoswitches driven by photoinduced fullerene-to-metal electron transfer
por: Zalibera, Michal, et al.
Publicado: (2021)

Deep Cavitand Calixarene–Solubilized Fullerene as a Potential Photodynamic Agent
por: Zhang, Tian-Xing, et al.
Publicado: (2021)

Structural Studies of Giant Empty and Endohedral Fullerenes
por: Wang, Song, et al.
Publicado: (2020)

Fullerene translocation through peroxidized lipid membranes
por: Gul, Gulsah, et al.
Publicado: (2021)

Cation recognition on a fullerene-based macrocycle
por: Hashikawa, Yoshifumi, et al.
Publicado: (2020)

U(2)N@I(h)(7)-C(80): fullerene cage encapsulating an unsymmetrical U(iv)[double bond, length as m-dash]N[double bond, length as m-dash]U(v) cluster
por: Li, Xiaomeng, et al.
Publicado: (2020)

Applications of Functionalized Fullerenes in Tumor Theranostics
por: Chen, Zhiyun, et al.
Publicado: (2012)

Nucleophilic cyclopropanation of [60]fullerene by the addition–elimination mechanism
por: Biglova, Yulya N., et al.
Publicado: (2019)

Subphthalocyanine capsules: molecular reactors for photoredox transformations of fullerenes
por: Moreno-Simoni, Marta, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_vhppmpr73fips07e3n5u2v17ca