Band structure and Fermi surface of the (BEDT-TTF)4M[Fe(CN)5NO]2 (M=Na, K, Rb,…) molecular metals containing the photochromic nitroprusside anion

A new stable organic metal based on the BEDO-TTF donor and the doubly charged nitroprusside anion, (BEDO-TTF)4[Fe(CN)5NO]

“…In the analogous BEDT-TTF layers these interactions are smaller by a factor of approximately two. 32,47,48 The reason lies in the very short S ¼ S contacts which override the intrinsic weakness of the p-type interactions with respect to the s-type ones. These very short contacts are a consequence of the smaller size of the oxygen atoms with respect to the sulfur ones which allows for closer lateral contacts between the two almost coplanar donors.…”

“…22 Recently a series of electroconducting radical cation salts based on BEDT-TTF and some of its analogues with the photochromic nitroprusside anion ([Fe(CN) 5 NO] 22 ) have been synthesized. 31,32 The nitroprusside anion is interesting because it possesses an extremely long-living metastable excited state at low temperatures generated with laser light. 33±38 This electronic transition is probably accompanied by a change in the {Full information on the packing motifs for donor layers in organic metals can be found in the review papers by Mori.…”

Variety of molecular conducting layers in the family of radical cation salts based on BEDT-TTF with the metal mononitrosyl complex [OsNOCl5]2–

“…As a part of our general approach to the design of new molecular materials combining different properties in the same crystal we have recently studied hybrid radical cation salts based on different p-organic donors, 1 such as BEDT-TTF, BEDO-TTF, EDT-TTF and its mono-and diamide functionalized derivatives EDT-TTF-CONH 2 and EDT-TTF-(CONH 2 ) 2 , DOET, BDH-TTP, TTT and TSeT, in which the inorganic photochromic anion [MNOX 5 ] 22 (M 5 Fe, Ru; X 5 CN, Cl, Br) was inserted. [2][3][4][5][6][7][8][9][10][11] This novel class of multifunctional materials should provide a unique opportunity to study a potential interplay between conducting and photochromic properties in these molecular solids. It must be noted that the experimental study of the photochromic properties of electroconducting radical cation salts with mononitrosyl metal complex anions and the influence of the electronic excitation of the anions over the conducting electrons by DSC, IR and Raman spectroscopy methods (i.e., those which are usually employed for the investigation of the photochromic properties of mononitrosyl complexes 12,13 ) turns out to be a formidable task due to the very small penetration depth of the light irradiation (l 5 350-540 nm) into a conducting sample.…”

Ab initio study of magnetic property of BEST2 [Fe(CN)5NO] charge-transfer salt

“…They found that this salt present very low room temperature conductivities and semiconducting thermal behaviors, and found that the organic sublattice does not contribute to the magnetic moment and there exist antiferromagnetic exchange interactions in the organic layer [12,13]. Theoretical studies on these molecular metals have been performed by Mazumdar, Imamura and Ishida [14][15][16][17]. In recent years, an ab initio method has been employed to study the geometrical and electronic structure of these materials [17,18].…”