Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials

Research output: Contribution to journalArticleScientificpeer-review

Standard

Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials. / Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E.; Halasyamani, Paramasivan; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.

In: Inorganic Chemistry, Vol. 53, No. 1, 06.01.2014, p. 221-228.

Research output: Contribution to journalArticleScientificpeer-review

Harvard

Holland, M, Donakowski, MD, Pozzi, EA, Rasmussen, AM, Tran, TT, Pease-Dodson, SE, Halasyamani, P, Seideman, T, Van Duyne, RP & Poeppelmeier, KR 2014, 'Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials' Inorganic Chemistry, vol. 53, no. 1, pp. 221-228. https://doi.org/10.1021/ic402177j

APA

Holland, M., Donakowski, M. D., Pozzi, E. A., Rasmussen, A. M., Tran, T. T., Pease-Dodson, S. E., ... Poeppelmeier, K. R. (2014). Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials. Inorganic Chemistry, 53(1), 221-228. https://doi.org/10.1021/ic402177j

Vancouver

Holland M, Donakowski MD, Pozzi EA, Rasmussen AM, Tran TT, Pease-Dodson SE et al. Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials. Inorganic Chemistry. 2014 Jan 6;53(1):221-228. https://doi.org/10.1021/ic402177j

Author

Holland, Michael ; Donakowski, Martin D. ; Pozzi, Eric A. ; Rasmussen, Andrew M. ; Tran, Thanh Thao ; Pease-Dodson, Shannon E. ; Halasyamani, Paramasivan ; Seideman, Tamar ; Van Duyne, Richard P. ; Poeppelmeier, Kenneth R. / Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials. In: Inorganic Chemistry. 2014 ; Vol. 53, No. 1. pp. 221-228.

Bibtex - Download

@article{0dffac3fe8a443688d1a8771a2f3ebcd,
title = "Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials",
abstract = "A series of pseudosymmetrical structures of formula K10(M 2OnF11-n)3X (M = V and Nb, n = 2, X = (F2Cl)1/3, Br, Br4/2,I4/2; M = Mo, n = 4, X = Cl, Br4/2, I4/2) illustrates generation of polar structures with the use of Λ-shaped basic building units (BBUs). For a compound to belong to a polar space group, dipole moments of individual species must be partially aligned. Incorporation of d0 early transition metal polyhedral BBUs into structures is a common method to create polar structures, owing to the second-order Jahn-Teller distortion these polyhedra contain. Less attention has been spent examining how to align the polar moments of BBUs. To address alignment, we present a study on previously reported bimetallic BBUs and synthesized compounds K10(M 2OnF11-n)3X. These materials differ in their (non)centrosymmetry despite chemical and structural similarities. The vanadium compounds are centrosymmetric (space groups P3̄m1 or C2/m) while the niobium and molybdenum heterotypes are noncentrosymmetric (Pmn2 1). The difference in symmetry occurs owing to the presence of linear, bimetallic BBUs or Λ-shaped bimetallic BBUs and related packing effects. These Λ-shaped BBUs form as a consequence of the coordination environment around the bridging anion of the metal oxide fluoride BBUs.",
author = "Michael Holland and Donakowski, {Martin D.} and Pozzi, {Eric A.} and Rasmussen, {Andrew M.} and Tran, {Thanh Thao} and Pease-Dodson, {Shannon E.} and Paramasivan Halasyamani and Tamar Seideman and {Van Duyne}, {Richard P.} and Poeppelmeier, {Kenneth R.}",
year = "2014",
month = "1",
day = "6",
doi = "10.1021/ic402177j",
language = "English",
volume = "53",
pages = "221--228",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "AMERICAN CHEMICAL SOCIETY",
number = "1",

}

RIS - Download

TY - JOUR

T1 - Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials

AU - Holland, Michael

AU - Donakowski, Martin D.

AU - Pozzi, Eric A.

AU - Rasmussen, Andrew M.

AU - Tran, Thanh Thao

AU - Pease-Dodson, Shannon E.

AU - Halasyamani, Paramasivan

AU - Seideman, Tamar

AU - Van Duyne, Richard P.

AU - Poeppelmeier, Kenneth R.

PY - 2014/1/6

Y1 - 2014/1/6

N2 - A series of pseudosymmetrical structures of formula K10(M 2OnF11-n)3X (M = V and Nb, n = 2, X = (F2Cl)1/3, Br, Br4/2,I4/2; M = Mo, n = 4, X = Cl, Br4/2, I4/2) illustrates generation of polar structures with the use of Λ-shaped basic building units (BBUs). For a compound to belong to a polar space group, dipole moments of individual species must be partially aligned. Incorporation of d0 early transition metal polyhedral BBUs into structures is a common method to create polar structures, owing to the second-order Jahn-Teller distortion these polyhedra contain. Less attention has been spent examining how to align the polar moments of BBUs. To address alignment, we present a study on previously reported bimetallic BBUs and synthesized compounds K10(M 2OnF11-n)3X. These materials differ in their (non)centrosymmetry despite chemical and structural similarities. The vanadium compounds are centrosymmetric (space groups P3̄m1 or C2/m) while the niobium and molybdenum heterotypes are noncentrosymmetric (Pmn2 1). The difference in symmetry occurs owing to the presence of linear, bimetallic BBUs or Λ-shaped bimetallic BBUs and related packing effects. These Λ-shaped BBUs form as a consequence of the coordination environment around the bridging anion of the metal oxide fluoride BBUs.

AB - A series of pseudosymmetrical structures of formula K10(M 2OnF11-n)3X (M = V and Nb, n = 2, X = (F2Cl)1/3, Br, Br4/2,I4/2; M = Mo, n = 4, X = Cl, Br4/2, I4/2) illustrates generation of polar structures with the use of Λ-shaped basic building units (BBUs). For a compound to belong to a polar space group, dipole moments of individual species must be partially aligned. Incorporation of d0 early transition metal polyhedral BBUs into structures is a common method to create polar structures, owing to the second-order Jahn-Teller distortion these polyhedra contain. Less attention has been spent examining how to align the polar moments of BBUs. To address alignment, we present a study on previously reported bimetallic BBUs and synthesized compounds K10(M 2OnF11-n)3X. These materials differ in their (non)centrosymmetry despite chemical and structural similarities. The vanadium compounds are centrosymmetric (space groups P3̄m1 or C2/m) while the niobium and molybdenum heterotypes are noncentrosymmetric (Pmn2 1). The difference in symmetry occurs owing to the presence of linear, bimetallic BBUs or Λ-shaped bimetallic BBUs and related packing effects. These Λ-shaped BBUs form as a consequence of the coordination environment around the bridging anion of the metal oxide fluoride BBUs.

UR - http://www.scopus.com/inward/record.url?scp=84891807091&partnerID=8YFLogxK

U2 - 10.1021/ic402177j

DO - 10.1021/ic402177j

M3 - Article

VL - 53

SP - 221

EP - 228

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 1

ER -

ID: 9474240