scholarly journals A Complete Ab Initio View of Orbach and Raman Spin–Lattice Relaxation in a Dysprosium Coordination Compound

2021 ◽  
Author(s):  
Matteo Briganti ◽  
Fabio Santanni ◽  
Lorenzo Tesi ◽  
Federico Totti ◽  
Roberta Sessoli ◽  
...  
Keyword(s):  
Ab Initio ◽  
Coordination Compound ◽  
Lattice Relaxation ◽  
Spin Lattice Relaxation ◽  
Spin Lattice

scholarly journals MOLECULAR INTERACTION BETWEEN BENZONITRILE AND HEXAMETHYLPHOSPHORIC TRIAMIDE BY 13C NMR T1 RELAXATION TIME STUDIES AND AB INITIO QM CALCULATIONS: EXTENDED INVESTIGATION

2010 ◽  
Vol 9 (2) ◽  
pp. 292-296 ◽  
Author(s):  
Parsaoran Siahaan ◽  
Cynthia L. Radiman ◽  
Susanto Imam Rahayu ◽  
Muhamad A. Martoprawiro ◽  
Dieter Ziessow
Keyword(s):  
Ab Initio ◽  
Intermolecular Interactions ◽  
Relaxation Times ◽  
Lattice Relaxation ◽  
Spin Lattice Relaxation ◽  
Anisotropy Ratio ◽  
Hexamethylphosphoric Triamide ◽  
Spin Lattice ◽  
Layer Arrangement ◽  
Quantum Chemistry Calculations

It has been obtained the anisotropy ratio a = T1(ortho-,meta-13C)/T1(para-13C) of dilute solutions of bn change from 1.7 in fa solution and 1.5 in neat bn to 1.0 in HMPT. Thus the anisotropy ratio comes out to be a = 1. In HMPT, obviously, solvent molecules cluster around Ph-CºN in such a way, that non-covalent interactions lead to isotropic reorientational motion like a spherical molecule. To conform with the T1 times, a layer arrangement with at least two HMPT molecules per Ph-CºN seems to be likely. From computational quantum calculations of non-covalent intermolecular interactions and Mie potential analysis, the solute-solvent molecular pairs in  bnּּּHMPT have almost equal interaction energies for the ortho, meta, and para configuration and the layered configurations are energetically permitted    Keywords: 13C T1 spin-lattice relaxation times, ab initio quantum chemistry calculations, intermolecular interactions,  isotropic and anisotropic rotational motion

Anisotropic 2H-NMR spin-lattice relaxation in oriented bilayers of DMPC and DMPC + cholesterol

1992 ◽  
Vol 89 ◽  
pp. 237-242 ◽  
Author(s):  
MA Krajewski-Bertrand ◽  
Y Nakatani ◽  
G Ourisson ◽  
EJ Dufourc ◽  
A Milon
Keyword(s):  
Lattice Relaxation ◽  
Spin Lattice Relaxation ◽  
2H Nmr ◽  
Spin Lattice

Dispersion of proton spin-lattice relaxation in a cholesteric liquid crystal

1983 ◽  
Vol 44 (10) ◽  
pp. 1179-1184 ◽  
Author(s):  
M. Vilfan ◽  
R. Blinc ◽  
J. Dolinšek ◽  
M. Ipavec ◽  
G. Lahajnar ◽  
...  
Keyword(s):  
Liquid Crystal ◽  
Cholesteric Liquid Crystal ◽  
Lattice Relaxation ◽  
Proton Spin ◽  
Spin Lattice Relaxation ◽  
Spin Lattice

NUCLEAR SPIN-LATTICE RELAXATION TIME IN TIN

1978 ◽  
Vol 39 (C6) ◽  
pp. C6-1215-C6-1216
Author(s):  
H. Ahola ◽  
G.J. Ehnholm ◽  
S.T. Islander ◽  
B. Rantala
Keyword(s):  
Relaxation Time ◽  
Nuclear Spin ◽  
Lattice Relaxation ◽  
Lattice Relaxation Time ◽  
Spin Lattice Relaxation ◽  
Spin Lattice Relaxation Time ◽  
Spin Lattice ◽  
Nuclear Spin Lattice Relaxation
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