Understanding the Photomagnetic Behavior in Copper Octacyanomolybdates

被引：22

作者：

Bunau, O. ^{[1
]}

Arrio, M. -A. ^{[1
]}

Sainctavit, Ph. ^{[1
]}

Paulatto, L. ^{[1
]}

Calandra, M. ^{[1
]}

Juhin, A. ^{[1
]}

Marvaud, V. ^{[2
]}

Moulin, C. Cartier Dit ^{[2
]}

机构：

[1] IMPMC, F-75252 Paris, France

[2] UPMC, IPCM, CNRS, F-75252 Paris, France

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2012年 / 116卷 / 34期

关键词：

PHOTOINDUCED FERRIMAGNETIC SYSTEMS; PRUSSIAN BLUE ANALOGS; ALKALI CATION; C-I; MAGNETIZATION;

D O I：

10.1021/jp303716z

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070305 [高分子化学与物理];

摘要：

The mechanism of photomagnetism in copper octacyanomolybdate molecules is currently under debate. Contrary to the general belief that the photomagnetic transition occurs only due to a photoinduced electron transfer from the molybdenum to the copper atom, recent X-ray magnetic dichroic (XMCD) data clearly indicate that this phenomenon is associated at low temperature to a local low-spin-high-spin transition on the molybdenum atom. In this article we provide theoretical justification for these experimental facts. We show the first simulation of X-ray absorption (XAS) and magnetic circular dichroism (XMCD) spectra at the L-2,L-3 edges of molybdenum from the joint perspective of density functional theory (DFT) calculations and ligand field multiplet (LFM) theory. The description of electronic interactions seems mandatory for reproducing the photomagnetic state.

引用

页码：8678 / 8683

页数：6

共 23 条

[1]

Photoinduced Magnetization on Mo Ion in Copper Octacyanomolybdate: An X-ray Magnetic Circular Dichroism Investigation [J].