Prato and Bingel-Hirsch cycloaddition to heptagon-containing LaSc2N@Cs(hept)-C80.: mportance of pentalene units

Qingming Deng; Alexey A. Popov

doi:10.1039/c5cc00296f

Prato and Bingel-Hirsch cycloaddition to heptagon-containing LaSc₂N@C_s(hept)-C_80.: mportance of pentalene units

Qingming Deng
, Alexey A. Popov

Leibniz Institute for Solid State and Materials Research Dresden

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

Possible cycloaddition sites in the heptagon-containing fullerene LaSc₂N@C_s(hept)-C₈₀ are studied computationally. Thermodynamically controlled Prato addition is predicted to proceed regioselectively across the pentagon/pentagon (p/p) edges, whereas in the kinetically-controlled Bingel-Hirsch reaction the most reactive are carbons next to the p/p edge.

Original language	English
Journal	Chemical Communications
Volume	51
Issue number	26
Pages (from-to)	5637-5640
Number of pages	4
ISSN	1359-7345
DOIs	https://doi.org/10.1039/c5cc00296f
Publication status	Published - 2015
Externally published	Yes

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title = "Prato and Bingel-Hirsch cycloaddition to heptagon-containing LaSc2N@Cs(hept)-C80.: mportance of pentalene units",

abstract = "Possible cycloaddition sites in the heptagon-containing fullerene LaSc2N@Cs(hept)-C80 are studied computationally. Thermodynamically controlled Prato addition is predicted to proceed regioselectively across the pentagon/pentagon (p/p) edges, whereas in the kinetically-controlled Bingel-Hirsch reaction the most reactive are carbons next to the p/p edge.",

author = "Qingming Deng and Popov, \{Alexey A.\}",

year = "2015",

doi = "10.1039/c5cc00296f",

language = "English",

volume = "51",

pages = "5637--5640",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "26",

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TY - JOUR

T1 - Prato and Bingel-Hirsch cycloaddition to heptagon-containing LaSc2N@Cs(hept)-C80.

T2 - mportance of pentalene units

AU - Deng, Qingming

AU - Popov, Alexey A.

PY - 2015

Y1 - 2015

N2 - Possible cycloaddition sites in the heptagon-containing fullerene LaSc2N@Cs(hept)-C80 are studied computationally. Thermodynamically controlled Prato addition is predicted to proceed regioselectively across the pentagon/pentagon (p/p) edges, whereas in the kinetically-controlled Bingel-Hirsch reaction the most reactive are carbons next to the p/p edge.

AB - Possible cycloaddition sites in the heptagon-containing fullerene LaSc2N@Cs(hept)-C80 are studied computationally. Thermodynamically controlled Prato addition is predicted to proceed regioselectively across the pentagon/pentagon (p/p) edges, whereas in the kinetically-controlled Bingel-Hirsch reaction the most reactive are carbons next to the p/p edge.

U2 - 10.1039/c5cc00296f

DO - 10.1039/c5cc00296f

M3 - Journal article

C2 - 25704065

SN - 1359-7345

VL - 51

SP - 5637

EP - 5640

JO - Chemical Communications

JF - Chemical Communications

IS - 26