Phonon spectra of ortho -dinitrotetramethylbenzene crystals

1987 ◽  
Vol 65 (9) ◽  
pp. 2122-2125 ◽  
Author(s):  
Paolo Sgarabotto ◽  
Mario Braghetti ◽  
Rosario Sergio Cataliotti ◽  
Giulio Paliani ◽  
Salvatore Sorriso ◽  
...  
Keyword(s):  
Group Theory ◽  
Phase Transitions ◽  
Solid State ◽  
Melting Point ◽  
Nitro Group ◽  
Vibrational Spectra ◽  
Lattice Dynamics ◽  
Solid Phase ◽  
Methyl Group ◽  
Phonon Spectra

We have studied the vibrational spectra and thermal behaviour of ortho-dinitrotetramethylbenzene (o-DNTMB) to learn more about its molecular and lattice dynamics. The molecule undergoes two solid–solid phase transitions, close to the melting point, which could be explained by the relaxation of forces hindering the methyl-group and nitro-group free rotations. We have deduced the nature of the solid state vibrational motions, particularly those of lattice phonons, using group theory.

The Remarkable Behavior of Crystalline [Fe(η5-C5H4CHO)2]:  Two Solid-to-Solid Phase Transitions and a Solid-State Reaction†

1999 ◽  
Vol 18 (20) ◽  
pp. 4191-4196 ◽  
Author(s):  
Dario Braga ◽  
Francesca Paganelli ◽  
Emilio Tagliavini ◽  
Sonia Casolari ◽  
Gianna Cojazzi ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Solid State ◽  
Solid State Reaction ◽  
Solid Phase

The thermodynamics of orientational disorder in a molecular solid: (CH3)3CCHO

1988 ◽  
Vol 66 (4) ◽  
pp. 729-733 ◽  
Author(s):  
Mary Anne White ◽  
Allyson Perrott
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Heat Capacity ◽  
Phase Transitions ◽  
Solid State ◽  
Magnetic Resonance ◽  
Thermodynamic Parameters ◽  
Solid Phase ◽  
Orientational Disorder ◽  
Molecular Solid ◽  
Nuclear Magnetic

The heat capacity of tert-butylaldehyde, (CH3)3CCHO, has been measured as a function of temperature from 29 to 298 K, to investigate solid-state polymorphism. There are two solid–solid phase transitions in this material, Ttr = 158.5 and 183.9 K, ΔStr = 0.402 R and 3.153 R respectively. The thermodynamic parameters for the transitions are consistent with mechanisms proposed on the basis of recent nuclear magnetic resonance investigations of this material.

scholarly journals Structural features of solid-solid phase transitions and lattice dynamics in U3O8

2020 ◽  
Vol 4 (9) ◽  
Author(s):  
Andrew Miskowiec ◽  
Tyler Spano ◽  
Rodney Hunt ◽  
Ashley E. Shields ◽  
J. L. Niedziela ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Lattice Dynamics ◽  
Solid Phase ◽  
Structural Features

scholarly journals Solid-state dimer method for calculating solid-solid phase transitions

2014 ◽  
Vol 140 (17) ◽  
pp. 174104 ◽  
Author(s):  
Penghao Xiao ◽  
Daniel Sheppard ◽  
Jutta Rogal ◽  
Graeme Henkelman
Keyword(s):  
Phase Transitions ◽  
Solid State ◽  
Solid Phase
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