![S-[2,3-Bis(palmitoyloxy)propyl]-N-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylene]cysteine structure](https://static.chemtradehub.com/structs/210/210532-98-2-f6a7.webp "S-[2,3-Bis(palmitoyloxy)propyl]-N-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylene]cysteine structure")
S-[2,3-Bis(palmitoyloxy)propyl]-N-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylene]cysteine
CAS Number:
210532-98-2
Molecular Formula:
C53H83NO8S
Carbon sp chains in diamond nanocavities
Literature Information
Publication Date
2019-09-18
DOI
10.1039/C9CP03978C
Impact Factor
3.676
Authors
Francesco Delodovici, Daniel S. Choi, Mohamed Al Fahim, Larry A. Burchfield, Nicola Manini
View Original
Abstract
We propose a new class of carbon allotropes obtained by combining linear sp carbon chains with sp3 bulk carbon. The structure of these crystalline carbon allotropes consists of sp chains inserted in cylindrical cavities periodically arranged in hexagonal diamond (lonsdaleite). We carry out a detailed computational analysis of the structural, electronic, and vibrational properties of a simple form in this class: a single C6 strand embedded in a nm-sized cavity. We obtain a metallic allotrope exhibiting characteristic high-frequency vibrations associated with the sp chain stretching modes, and characterized by long-time room-temperature stability. In addition, we suggest how numerous similar allotropes could be constructed within this class, that we call zayedenes, all characterized by comparable metallicity and high-frequency vibrations.
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Source Journal
Physical Chemistry Chemical Physics
CiteScore:
5.5
Self-citation Rate:
10.3%
Articles per Year:
3036
Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
Recommended Compounds
6-CHLORO-2,3-DIOXO-1,2,3,4-TETRAHYDROQUINOXALINE, 97
CAS Number:
169-14-2
Molecular Formula:
C8H5ClN2O2
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