scholarly journals Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder

CrystEngComm ◽  
2013 ◽  
Vol 15 (17) ◽  
pp. 3423 ◽  
Author(s):  
Andrew R. Farrell ◽  
Jonathan A. Coome ◽  
Michael R. Probert ◽  
Andrès E. Goeta ◽  
Judith A. K. Howard ◽  
...  
Keyword(s):  
Low Temperature ◽  
Single Molecule ◽  
Structure Determination ◽  
Structural Disorder ◽  
Temperature Structure ◽  
Single Molecule Magnet

scholarly journals (E)-4-Bromo-2-[(phenylimino)methyl]phenol: a new polymorph and thermochromism

2020 ◽  
Vol 76 (11) ◽  
pp. 1001-1004
Author(s):  
Helen E. Mason ◽  
Judith A. K. Howard ◽  
Hazel A. Sparkes
Keyword(s):  
Hydrogen Bond ◽  
Low Temperature ◽  
Structure Determination ◽  
Room Temperature ◽  
Dihedral Angles ◽  
Temperature Structure ◽  
Aromatic Rings

A new polymorph of (E)-4-bromo-2-[(phenylimino)methyl]phenol, C13H10BrNO, is reported, together with a low-temperature structure determination of the previously published polymorph. Both polymorphs were found to have an intramolecular O—H...N hydrogen bond between the phenol OH group and the imine N atom, forming an S(6) ring. The crystals were observed to have different colours at room temperature, with the previously published polymorph being more orange and the new polymorph more yellow. The planarity of the molecule in the two polymorphs was found to be significantly different, with dihedral angles (Φ) between the two aromatic rings for the previously published `orange' polymorph of Φ = 1.8 (2)° at 120 K, while the new `yellow' polymorph had Φ = 45.6 (1)° at 150 K. It was also observed that both polymorphs displayed some degree of thermochromism and upon cooling the `orange' polymorph became more yellow, while the `yellow' polymorph became paler upon cooling.

Recent advances in lanthanide coordination polymers and clusters with magnetocaloric effect or single-molecule magnet behavior

2021 ◽  
Author(s):  
Jun-Jie Hu ◽  
Yan Peng ◽  
Sui-Jun Liu ◽  
He-Rui Wen
Keyword(s):  
Quantum Computing ◽  
Low Temperature ◽  
Magnetocaloric Effect ◽  
Coordination Polymers ◽  
Single Molecule ◽  
Information Storage ◽  
Lanthanide Ions ◽  
Single Molecule Magnets ◽  
Single Molecule Magnet ◽  
Lanthanide Coordination Polymers

The molecular magnetorefrigerant materials for low-temperature magnetic refrigeration and single-molecule magnets for high-density information storage and quantum computing have received extensive attention from chemists and magnetic experts. Lanthanide ions with...

Determination of magnetic anisotropy in a multinuclear TbIII-based single-molecule magnet

2015 ◽  
Vol 51 (52) ◽  
pp. 10373-10376 ◽  
Author(s):  
Xing-Cai Huang ◽  
Veacheslav Vieru ◽  
Liviu F. Chibotaru ◽  
Wolfgang Wernsdorfer ◽  
Shang-Da Jiang ◽  
...  
Keyword(s):  
Magnetic Anisotropy ◽  
Single Molecule ◽  
Structural Relationship ◽  
Anisotropy Axis ◽  
Single Molecule Magnet

The magnetic anisotropy axis of the Tb3+ ion in a tetranuclear [CuTb]2 SMM was established by magneto-structural relationship investigation.

Low-Temperature Magnetic Force Microscopy on Single Molecule Magnet-Based Microarrays

Nano Letters ◽  
2017 ◽  
Vol 17 (3) ◽  
pp. 1899-1905 ◽  
Author(s):  
Michele Serri ◽  
Matteo Mannini ◽  
Lorenzo Poggini ◽  
Emilio Vélez-Fort ◽  
Brunetto Cortigiani ◽  
...  
Keyword(s):  
Low Temperature ◽  
Single Molecule ◽  
Magnetic Force Microscopy ◽  
Magnetic Force ◽  
Single Molecule Magnet ◽  
Force Microscopy

4,4′-Bithiazoles as Ligands: Crystal and Molecular Structure of bis(O,O′-Nitrato)(2,2′-diphenyl-4,4′-bithiazole)copper(II) (Two Polymorphs)

2003 ◽  
Vol 56 (9) ◽  
pp. 949 ◽  
Author(s):  
S. Ali Asghar Torabi ◽  
Fahimeh Jamali ◽  
George A. Koutsantonis ◽  
Ali Morsali ◽  
Brian W. Skelton ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Low Temperature ◽  
Molecular Complex ◽  
Structure Determination ◽  
Crystal And Molecular Structure ◽  
Plane Angle ◽  
Asymmetric Unit ◽  
X Ray ◽  
Crystallographic Symmetry

A low-temperature single-crystal X-ray structure determination of the 1 : 1 adduct of copper(II) nitrate with 2,2′-diphenyl-4,4′-bithiazole (L) shows it to be a molecular complex with L behaving as a symmetrical N,N′ chelate, and the nitrate groups as unsymmetrical O,O′ chelates: [LCu(O2NO)2]. Two polymorphs, both monoclinic P21/c, have been obtained from acetonitrile (‘α’) and methanol (‘β’), respectively, with one molecule, devoid of crystallographic symmetry, in the asymmetric unit of each structure. The copper environments are distorted planar four-coordinate, cis-N2CuO2 (Cu–N 2.011(1), 1.973(1), Cu–O 1.995(1), 1.962(1) Å), ‘in-plane’ angle sum Σ 369.5°, with longer trans, axial contacts (Cu–O 2.455(1), 2.458(2) Å) for the α-form; respective values are 1.995(5), 1.991(4), 1.997(4), 1.973(3) Å, 360.4°, 2.500(4), and 2.396(4) Å for the β-form.

scholarly journals Single molecule secondary structure determination of proteins through infrared absorption nanospectroscopy

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Francesco Simone Ruggeri ◽  
Benedetta Mannini ◽  
Roman Schmid ◽  
Michele Vendruscolo ◽  
Tuomas P. J. Knowles
Keyword(s):  
Secondary Structure ◽  
Single Molecule ◽  
Infrared Absorption ◽  
Structure Determination

Order and disorder in acenaphthylene

1973 ◽  
Vol 334 (1596) ◽  
pp. 19-48 ◽  
Keyword(s):  
Low Temperature ◽  
Room Temperature ◽  
Temperature Structure ◽  
Intermediate Form ◽  
X Ray Diffraction ◽  
Space Group ◽  
Order And Disorder ◽  
Temperature Form ◽  
Diffraction Effects

Acenaphthylene, C 12 H 8 , occurs in space group Pbam (or Pba2) at room temperatures (23 °C) with a = 7.705 (5), b = 7.865 (5), c = 14.071 (5) Å and Z = 4, and is disordered. At about 130 K it undergoes a reversible transition to space group P2 1 nm with a = 7.588 (13), b = 7.549 (10), c = 27.822 (2) Å and Z = 8 (85 K) with an ordered structure. A general study of the system has revealed that the structure of both forms consists of layers of closely packed molecules stacked in the c direction. The room temperature structure has a two-layer repeat and the low temperature form a four-layer repeat. Observation of diffuse X-ray diffraction effects at temperatures close to the transition indicates that an intermediate form having a six-layer repeat is formed. A preliminary structure determination of the low-temperature form reveals that the four layers though having a similar packing scheme differ in the orientation of the constituent molecules relative to c . It is proposed that the almost circular shape of the molecules allows each layer to change its identity under thermal agitation by a rotation of its constituent molecules in their own planes. The transition can be explained in terms of changes of the correlations between neighbouring layers. A simple model based on short-range order parameters is described, which explains the occurrence of the six-layer intermediate and the observed sequence of diffuse diffraction phenomena. The nature of the structure of the disordered room temperature form, which is predicted by this model, is confirmed as far as possible with the data available which are limited because of the dearth of high-angle diffraction maxima.

Determination of the low-temperature structure of hexamethylbenzene

2005 ◽  
Vol 61 (2) ◽  
pp. 200-206 ◽  
Author(s):  
John A. Stride
Keyword(s):  
Low Temperature ◽  
Temperature Phase ◽  
Temperature Structure ◽  
Thermally Induced ◽  
First Order ◽  
Neutron Powder Diffraction Data ◽  
First Order Phase Transition ◽  
First Order Phase

The low-temperature structure of hexamethylbenzene has been determined from neutron powder diffraction data and found to differ from the room-temperature phase predominantly by a translation of molecular planes to a form a cubic close-packed type structure. By performing measurements as a function of temperature, the role of thermally induced agitation of the molecular units in the first-order phase transition is clearly demonstrated.

scholarly journals Origin and spectroscopic determination of trigonal anisotropy in a heteronuclear single-molecule magnet

2013 ◽  
Vol 88 (10) ◽  
Author(s):  
L. Sorace ◽  
M.-E. Boulon ◽  
P. Totaro ◽  
A. Cornia ◽  
J. Fernandes-Soares ◽  
...  
Keyword(s):  
Single Molecule ◽  
Spectroscopic Determination ◽  
Single Molecule Magnet
Sign in / Sign up

Export Citation Format

Share Document