Conformational barrier for fullerene-porphyrin-fullerene triad

Shihai Yan; Sang Joo Lee; Kyoung Chul Ko; Sunwoo Kang; Jin Yong Lee

doi:10.1021/jp805706v

Conformational barrier for fullerene-porphyrin-fullerene triad

Shihai Yan
, Sang Joo Lee
, Kyoung Chul Ko
, Sunwoo Kang
, Jin Yong Lee

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

A recent study (J. Phys. Chem. B 2006, 110, 5337) proposed that fullerene-porphyrin-fullerene triad (C_6oPC_6o) could be utilized as a photoinduced switch due to the difference in electron transfer directionality for the cis and trans conformer. It is found that the rotational barrier between the SS and AA conformers of C_6oPC_6o is about 3-5 kcal/mol, which can be facilely controllable in experiment. The rotational energy barrier for the anion system is slightly higher than the neutral C_6oPC_6o, whereas the total energy of the neutral triad is decreased by about 60 kcal/mol upon electron attachment. The corresponding reorganization energy is very small. These results reveal that the C_6oPC_6o is a potential candidate for electrochemical machinery and energy storage material.

Original language	English
Pages (from-to)	16341-16345
Number of pages	5
Journal	Journal of Physical Chemistry B
Volume	112
Issue number	51
DOIs	https://doi.org/10.1021/jp805706v
State	Published - 25 Dec 2008
Externally published	Yes

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title = "Conformational barrier for fullerene-porphyrin-fullerene triad",

abstract = "A recent study (J. Phys. Chem. B 2006, 110, 5337) proposed that fullerene-porphyrin-fullerene triad (C6oPC6o) could be utilized as a photoinduced switch due to the difference in electron transfer directionality for the cis and trans conformer. It is found that the rotational barrier between the SS and AA conformers of C6oPC6o is about 3-5 kcal/mol, which can be facilely controllable in experiment. The rotational energy barrier for the anion system is slightly higher than the neutral C6oPC6o, whereas the total energy of the neutral triad is decreased by about 60 kcal/mol upon electron attachment. The corresponding reorganization energy is very small. These results reveal that the C6oPC6o is a potential candidate for electrochemical machinery and energy storage material.",

author = "Shihai Yan and Lee, \{Sang Joo\} and Ko, \{Kyoung Chul\} and Sunwoo Kang and Lee, \{Jin Yong\}",

year = "2008",

month = dec,

day = "25",

doi = "10.1021/jp805706v",

language = "English",

volume = "112",

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journal = "Journal of Physical Chemistry B",

issn = "1520-6106",

publisher = "American Chemical Society",

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TY - JOUR

T1 - Conformational barrier for fullerene-porphyrin-fullerene triad

AU - Yan, Shihai

AU - Lee, Sang Joo

AU - Ko, Kyoung Chul

AU - Kang, Sunwoo

AU - Lee, Jin Yong

PY - 2008/12/25

Y1 - 2008/12/25

N2 - A recent study (J. Phys. Chem. B 2006, 110, 5337) proposed that fullerene-porphyrin-fullerene triad (C6oPC6o) could be utilized as a photoinduced switch due to the difference in electron transfer directionality for the cis and trans conformer. It is found that the rotational barrier between the SS and AA conformers of C6oPC6o is about 3-5 kcal/mol, which can be facilely controllable in experiment. The rotational energy barrier for the anion system is slightly higher than the neutral C6oPC6o, whereas the total energy of the neutral triad is decreased by about 60 kcal/mol upon electron attachment. The corresponding reorganization energy is very small. These results reveal that the C6oPC6o is a potential candidate for electrochemical machinery and energy storage material.

AB - A recent study (J. Phys. Chem. B 2006, 110, 5337) proposed that fullerene-porphyrin-fullerene triad (C6oPC6o) could be utilized as a photoinduced switch due to the difference in electron transfer directionality for the cis and trans conformer. It is found that the rotational barrier between the SS and AA conformers of C6oPC6o is about 3-5 kcal/mol, which can be facilely controllable in experiment. The rotational energy barrier for the anion system is slightly higher than the neutral C6oPC6o, whereas the total energy of the neutral triad is decreased by about 60 kcal/mol upon electron attachment. The corresponding reorganization energy is very small. These results reveal that the C6oPC6o is a potential candidate for electrochemical machinery and energy storage material.

UR - https://www.scopus.com/pages/publications/58149161529

U2 - 10.1021/jp805706v

DO - 10.1021/jp805706v

M3 - Article

AN - SCOPUS:58149161529

SN - 1520-6106

VL - 112

SP - 16341

EP - 16345

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

IS - 51

ER -

Conformational barrier for fullerene-porphyrin-fullerene triad

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