D 3h CN 3Be 3 + and CO 3Li 3 +: Viable planar hexacoordinate carbon prototypes

Yan Bo Wu; Yan Duan; Gang Lu; Hai Gang Lu; Pin Yang; Paul Von Ragué Schleyer; Gabriel Merino; Rafael Islas; Zhi Xiang Wang

doi:10.1039/c2cp41822c

D _3h CN ₃Be ₃ ⁺ and CO ₃Li ₃ ⁺: Viable planar hexacoordinate carbon prototypes

Yan Bo Wu, Yan Duan, Gang Lu, Hai Gang Lu, Pin Yang, Paul Von Ragué Schleyer, Gabriel Merino, Rafael Islas, Zhi Xiang Wang

Facultad Ciencias Exactas

Producción científica: Contribución a una revista › Artículo › revisión exhaustiva

59 Citas (Scopus)

Resumen

Searches for planar hexacoordinate carbon (phC) species comprised of only seven atoms uncovered good CX ₃M ₃ prototypes, D _3h CN ₃Be ₃ ⁺ and CO ₃Li ₃ ⁺. The latter is the global minimum. It might also be possible to detect the deep-lying kinetically-viable D _3h CN ₃Be ₃ ⁺ local minimum, based on its robustness toward molecular dynamic simulations and its very high isomerization barrier. This journal is

Idioma original	Inglés
Páginas (desde-hasta)	14760-14763
Número de páginas	4
Publicación	Physical Chemistry Chemical Physics
Volumen	14
N.º	43
DOI	https://doi.org/10.1039/c2cp41822c
Estado	Publicada - 21 nov. 2012

Áreas temáticas de ASJC Scopus

Física y astronomía (todo)
Química física y teórica

Acceder al documento

10.1039/c2cp41822c

Otros archivos y enlaces

Link to publication in Scopus

Citar esto

@article{1fc4946718d74697a41c602524fce2dd,

title = "D 3h CN 3Be 3 + and CO 3Li 3 +: Viable planar hexacoordinate carbon prototypes",

abstract = "Searches for planar hexacoordinate carbon (phC) species comprised of only seven atoms uncovered good CX 3M 3 prototypes, D 3h CN 3Be 3 + and CO 3Li 3 +. The latter is the global minimum. It might also be possible to detect the deep-lying kinetically-viable D 3h CN 3Be 3 + local minimum, based on its robustness toward molecular dynamic simulations and its very high isomerization barrier. This journal is",

author = "Wu, {Yan Bo} and Yan Duan and Gang Lu and Lu, {Hai Gang} and Pin Yang and Schleyer, {Paul Von Ragu{\'e}} and Gabriel Merino and Rafael Islas and Wang, {Zhi Xiang}",

year = "2012",

month = nov,

day = "21",

doi = "10.1039/c2cp41822c",

language = "English",

volume = "14",

pages = "14760--14763",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

number = "43",

}

TY - JOUR

T1 - D 3h CN 3Be 3 + and CO 3Li 3 +

T2 - Viable planar hexacoordinate carbon prototypes

AU - Wu, Yan Bo

AU - Duan, Yan

AU - Lu, Gang

AU - Lu, Hai Gang

AU - Yang, Pin

AU - Schleyer, Paul Von Ragué

AU - Merino, Gabriel

AU - Islas, Rafael

AU - Wang, Zhi Xiang

PY - 2012/11/21

Y1 - 2012/11/21

N2 - Searches for planar hexacoordinate carbon (phC) species comprised of only seven atoms uncovered good CX 3M 3 prototypes, D 3h CN 3Be 3 + and CO 3Li 3 +. The latter is the global minimum. It might also be possible to detect the deep-lying kinetically-viable D 3h CN 3Be 3 + local minimum, based on its robustness toward molecular dynamic simulations and its very high isomerization barrier. This journal is

AB - Searches for planar hexacoordinate carbon (phC) species comprised of only seven atoms uncovered good CX 3M 3 prototypes, D 3h CN 3Be 3 + and CO 3Li 3 +. The latter is the global minimum. It might also be possible to detect the deep-lying kinetically-viable D 3h CN 3Be 3 + local minimum, based on its robustness toward molecular dynamic simulations and its very high isomerization barrier. This journal is

UR - http://www.scopus.com/inward/record.url?scp=84867703981&partnerID=8YFLogxK

U2 - 10.1039/c2cp41822c

DO - 10.1039/c2cp41822c

M3 - Article

C2 - 22801879

AN - SCOPUS:84867703981

SN - 1463-9076

VL - 14

SP - 14760

EP - 14763

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 43

ER -