Semiconductive and magnetic one-dimensional coordination polymers of Cu(II) with modified nucleobases

Pilar Amo-Ochoa; Oscar Castillo; Carlos J. Gómez-García; Khaled Hassanein; Sandeep Verma; Jitendra Kumar; Félix Zamora

doi:10.1021/ic401758w

Semiconductive and magnetic one-dimensional coordination polymers of Cu(II) with modified nucleobases

Pilar Amo-Ochoa^*
, Oscar Castillo
, Carlos J. Gómez-García
, Khaled Hassanein
, Sandeep Verma
, Jitendra Kumar
, Félix Zamora

^*Corresponding author for this work

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

41 Scopus citations

Abstract

Four new copper(II) coordination complexes, obtained by reaction of CuX₂ (X = acetate or chloride) with thymine-1-acetic acid and uracil-1-propionic acid as ligands, of formulas [Cu(TAcO)₂(H ₂O)₄]·4H₂O (1), [Cu(TAcO) ₂(H₂O)₂]_n (2), [Cu ₃(TAcO)₄(H₂O)₂(OH)₂] _n·4H₂O (3), and [Cu₃(UPrO) ₂Cl₂(OH)₂(H₂O)₂] _n (4) (TAcOH = thymine-1-acetic acid, UPrOH = uracil-1-propionic acid) are described. While 1 is a discrete complex, 2-4 are one-dimensional coordination polymers. Complexes 2-4 present dc conductivity values between 10^-6 and 10^-9 S/cm^-1. The magnetic behavior of complex 2 is typical for almost isolated Cu(II) metal centers. Moderate-weak antiferromagnetic interactions have been found in complex 3, whereas a combination of strong and weak antiferromagnetic interactions have been found in complex 4. Quantum computational calculations have been done to estimate the individual "J" magnetic coupling constant for each superexchange pathway in complexes 3 and 4. Compounds 2-4 are the first known examples of semiconductor and magnetic coordination polymers containing nucleobases.

Original language	English
Pages (from-to)	11428-11437
Number of pages	10
Journal	Inorganic Chemistry
Volume	52
Issue number	19
DOIs	https://doi.org/10.1021/ic401758w
State	Published - 7 Oct 2013
Externally published	Yes

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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@article{fa222901fc83463aa7763d4a2104c5df,

title = "Semiconductive and magnetic one-dimensional coordination polymers of Cu(II) with modified nucleobases",

abstract = "Four new copper(II) coordination complexes, obtained by reaction of CuX2 (X = acetate or chloride) with thymine-1-acetic acid and uracil-1-propionic acid as ligands, of formulas [Cu(TAcO)2(H 2O)4]·4H2O (1), [Cu(TAcO) 2(H2O)2]n (2), [Cu 3(TAcO)4(H2O)2(OH)2] n·4H2O (3), and [Cu3(UPrO) 2Cl2(OH)2(H2O)2] n (4) (TAcOH = thymine-1-acetic acid, UPrOH = uracil-1-propionic acid) are described. While 1 is a discrete complex, 2-4 are one-dimensional coordination polymers. Complexes 2-4 present dc conductivity values between 10-6 and 10-9 S/cm-1. The magnetic behavior of complex 2 is typical for almost isolated Cu(II) metal centers. Moderate-weak antiferromagnetic interactions have been found in complex 3, whereas a combination of strong and weak antiferromagnetic interactions have been found in complex 4. Quantum computational calculations have been done to estimate the individual {"}J{"} magnetic coupling constant for each superexchange pathway in complexes 3 and 4. Compounds 2-4 are the first known examples of semiconductor and magnetic coordination polymers containing nucleobases.",

author = "Pilar Amo-Ochoa and Oscar Castillo and G{\'o}mez-Garc{\'i}a, \{Carlos J.\} and Khaled Hassanein and Sandeep Verma and Jitendra Kumar and F{\'e}lix Zamora",

year = "2013",

month = oct,

day = "7",

doi = "10.1021/ic401758w",

language = "English",

volume = "52",

pages = "11428--11437",

journal = "Inorganic Chemistry",

issn = "0020-1669",

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TY - JOUR

T1 - Semiconductive and magnetic one-dimensional coordination polymers of Cu(II) with modified nucleobases

AU - Amo-Ochoa, Pilar

AU - Castillo, Oscar

AU - Gómez-García, Carlos J.

AU - Hassanein, Khaled

AU - Verma, Sandeep

AU - Kumar, Jitendra

AU - Zamora, Félix

PY - 2013/10/7

Y1 - 2013/10/7

N2 - Four new copper(II) coordination complexes, obtained by reaction of CuX2 (X = acetate or chloride) with thymine-1-acetic acid and uracil-1-propionic acid as ligands, of formulas [Cu(TAcO)2(H 2O)4]·4H2O (1), [Cu(TAcO) 2(H2O)2]n (2), [Cu 3(TAcO)4(H2O)2(OH)2] n·4H2O (3), and [Cu3(UPrO) 2Cl2(OH)2(H2O)2] n (4) (TAcOH = thymine-1-acetic acid, UPrOH = uracil-1-propionic acid) are described. While 1 is a discrete complex, 2-4 are one-dimensional coordination polymers. Complexes 2-4 present dc conductivity values between 10-6 and 10-9 S/cm-1. The magnetic behavior of complex 2 is typical for almost isolated Cu(II) metal centers. Moderate-weak antiferromagnetic interactions have been found in complex 3, whereas a combination of strong and weak antiferromagnetic interactions have been found in complex 4. Quantum computational calculations have been done to estimate the individual "J" magnetic coupling constant for each superexchange pathway in complexes 3 and 4. Compounds 2-4 are the first known examples of semiconductor and magnetic coordination polymers containing nucleobases.

AB - Four new copper(II) coordination complexes, obtained by reaction of CuX2 (X = acetate or chloride) with thymine-1-acetic acid and uracil-1-propionic acid as ligands, of formulas [Cu(TAcO)2(H 2O)4]·4H2O (1), [Cu(TAcO) 2(H2O)2]n (2), [Cu 3(TAcO)4(H2O)2(OH)2] n·4H2O (3), and [Cu3(UPrO) 2Cl2(OH)2(H2O)2] n (4) (TAcOH = thymine-1-acetic acid, UPrOH = uracil-1-propionic acid) are described. While 1 is a discrete complex, 2-4 are one-dimensional coordination polymers. Complexes 2-4 present dc conductivity values between 10-6 and 10-9 S/cm-1. The magnetic behavior of complex 2 is typical for almost isolated Cu(II) metal centers. Moderate-weak antiferromagnetic interactions have been found in complex 3, whereas a combination of strong and weak antiferromagnetic interactions have been found in complex 4. Quantum computational calculations have been done to estimate the individual "J" magnetic coupling constant for each superexchange pathway in complexes 3 and 4. Compounds 2-4 are the first known examples of semiconductor and magnetic coordination polymers containing nucleobases.

UR - https://www.scopus.com/pages/publications/84885143230

U2 - 10.1021/ic401758w

DO - 10.1021/ic401758w

M3 - Article

C2 - 24040754

AN - SCOPUS:84885143230

SN - 0020-1669

VL - 52

SP - 11428

EP - 11437

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 19

ER -

Semiconductive and magnetic one-dimensional coordination polymers of Cu(II) with modified nucleobases

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