A family of octahedral molybdenum cluster complexes [Mo6Cl 8(H2O)n(OH)6-n] n-2 with n = 0-6 as a pH-sensors: A theoretical study

Ximena Zarate; Eduardo Schott; Leonor Alvarado-Soto; Rodrigo Ramirez-Tagle

doi:10.1016/j.cplett.2013.02.071

A family of octahedral molybdenum cluster complexes [Mo₆Cl ₈(H₂O)_n(OH)_6-n] ^n-2 with n = 0-6 as a pH-sensors: A theoretical study

Ximena Zarate
, Eduardo Schott
, Leonor Alvarado-Soto
, Rodrigo Ramirez-Tagle

Universidad Bernardo OHiggins

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

12 Scopus citations

Abstract

Theoretical computations of a series of clusters [Mo₆Cl ₈(H₂O)_n(OH)_6-n] ^n-2 are presented. UV-Vis absorption spectra, the ground states (S₀) and the lowest excited states (S₁ and T ₁) were examined. Energy diagrams for luminescent decay were built in order to get insights about the emission processes of these systems. The fact that the systems show different emission energy profiles when the aqua and hydroxo coordinations are changed, indicates pH-dependence and supports the statement that these clusters are candidates to act as pH-sensors. Those properties are also shown by a reported family of luminescent [Re ₆S₈(H₂O)_n(OH)_6- _n]^n-4 clusters, with the same structure of the systems studied here.

Original language	English
Pages (from-to)	39-42
Number of pages	4
Journal	Chemical Physics Letters
Volume	567
DOIs	https://doi.org/10.1016/j.cplett.2013.02.071
State	Published - 19 Apr 2013
Externally published	Yes

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title = "A family of octahedral molybdenum cluster complexes [Mo6Cl 8(H2O)n(OH)6-n] n-2 with n = 0-6 as a pH-sensors: A theoretical study",

abstract = "Theoretical computations of a series of clusters [Mo6Cl 8(H2O)n(OH)6-n] n-2 are presented. UV-Vis absorption spectra, the ground states (S0) and the lowest excited states (S1 and T 1) were examined. Energy diagrams for luminescent decay were built in order to get insights about the emission processes of these systems. The fact that the systems show different emission energy profiles when the aqua and hydroxo coordinations are changed, indicates pH-dependence and supports the statement that these clusters are candidates to act as pH-sensors. Those properties are also shown by a reported family of luminescent [Re 6S8(H2O)n(OH)6- n]n-4 clusters, with the same structure of the systems studied here.",

author = "Ximena Zarate and Eduardo Schott and Leonor Alvarado-Soto and Rodrigo Ramirez-Tagle",

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doi = "10.1016/j.cplett.2013.02.071",

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TY - JOUR

T1 - A family of octahedral molybdenum cluster complexes [Mo6Cl 8(H2O)n(OH)6-n] n-2 with n = 0-6 as a pH-sensors

T2 - A theoretical study

AU - Zarate, Ximena

AU - Schott, Eduardo

AU - Alvarado-Soto, Leonor

AU - Ramirez-Tagle, Rodrigo

PY - 2013/4/19

Y1 - 2013/4/19

N2 - Theoretical computations of a series of clusters [Mo6Cl 8(H2O)n(OH)6-n] n-2 are presented. UV-Vis absorption spectra, the ground states (S0) and the lowest excited states (S1 and T 1) were examined. Energy diagrams for luminescent decay were built in order to get insights about the emission processes of these systems. The fact that the systems show different emission energy profiles when the aqua and hydroxo coordinations are changed, indicates pH-dependence and supports the statement that these clusters are candidates to act as pH-sensors. Those properties are also shown by a reported family of luminescent [Re 6S8(H2O)n(OH)6- n]n-4 clusters, with the same structure of the systems studied here.

AB - Theoretical computations of a series of clusters [Mo6Cl 8(H2O)n(OH)6-n] n-2 are presented. UV-Vis absorption spectra, the ground states (S0) and the lowest excited states (S1 and T 1) were examined. Energy diagrams for luminescent decay were built in order to get insights about the emission processes of these systems. The fact that the systems show different emission energy profiles when the aqua and hydroxo coordinations are changed, indicates pH-dependence and supports the statement that these clusters are candidates to act as pH-sensors. Those properties are also shown by a reported family of luminescent [Re 6S8(H2O)n(OH)6- n]n-4 clusters, with the same structure of the systems studied here.

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DO - 10.1016/j.cplett.2013.02.071

M3 - Article

AN - SCOPUS:84876105910

SN - 0009-2614

VL - 567

SP - 39

EP - 42

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

A family of octahedral molybdenum cluster complexes [Mo₆Cl ₈(H₂O)_n(OH)_6-n] ^n-2 with n = 0-6 as a pH-sensors: A theoretical study

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