Conformational phase transitions of n-propyl chloroacetate: thermal, chlorine-35 nuclear quadrupole resonance, and vibrational spectroscopic studies

1990 ◽  
Vol 94 (21) ◽  
pp. 8070-8072 ◽  
Author(s):  
Yoshiyuki. Mido ◽  
Hajime. Katano ◽  
Takahiro. Isono ◽  
Masao. Hashimoto ◽  
Hiroatsu. Matsuura
Keyword(s):  
Phase Transitions ◽  
Nuclear Quadrupole Resonance ◽  
Spectroscopic Studies ◽  
Quadrupole Resonance ◽  
Nuclear Quadrupole

scholarly journals 79Br and 127І Nuclear Quadrupole Resonance Investigations of Ortho-Substituted Anilinium Halides, 2-RC6H4NH3⊕ X⊖ with X = Br, I and R = CI, CN, C2H5, NH2, and NH3⊕ X⊖

1991 ◽  
Vol 46 (4) ◽  
pp. 367-375 ◽  
Author(s):  
Jutta Hartmann ◽  
Alarich Weiss
Keyword(s):  
Phase Transitions ◽  
Nuclear Quadrupole Resonance ◽  
Temperature Range ◽  
Quadrupole Resonance ◽  
Nuclear Quadrupole

Abstract The 79Br and 127I nuclear quadrupole resonance, NQR, spectra of ortho-substituted anilinium bromides and iodides 2-RC6H4NH3⊕ X⊖ with X = Br, I and R = CI, CN, C2H5, NH2, and NH3⊕ X⊖ have been investigated in the temperature range 77 < T/K <420. Phase transitions occur in 2-(C2H5)C6H4NH3⊕ Br⊖ ½H2O at Tc= 164 K. in 2-(C2H5)C6H4NH3⊕ I⊖ at Tc = 214 K, in [1,2-C6H4(N(H,D)3)-]2⊕[Br⊖]2 at Tc = 209 K, and in [1,2-C6H4(NH3)2]2⊕[I⊖]2 at Tc = 173 K. The NQR data are discussed and compared with NQR spectra of para-substituted anilinium halides

Neutron-diffraction study of the structural phase transitions in the antifluorite K2PtBr6

1985 ◽  
Vol 63 (7) ◽  
pp. 988-996 ◽  
Author(s):  
Robin L. Armstrong ◽  
Rose M. Morra ◽  
Brian M. Powell
Keyword(s):  
Phase Transitions ◽  
Nuclear Quadrupole Resonance ◽  
Goodness Of Fit ◽  
Structural Phase ◽  
Spectral Characteristics ◽  
Neutron Diffraction Study ◽  
Structural Phase Transitions ◽  
Quadrupole Resonance ◽  
Nuclear Quadrupole

Neutron-powder-diffraction profiles are reported for the antifluorite K2PtBr6 at temperatures of 296, 160, 141, and 120 K. Bromine nuclear-quadrupole-resonance measurements have shown that each of these temperatures corresponds to a different crystal structure and have provided information on the most probable structures. A variety of structural models with symmetries obtained from a group theoretical classification of structural phase transitions are fitted to the diffraction data. A comparison of goodness-of-fit parameters for the models considered at each temperature allows the space group of each phase to be identified. The results provide (i) a definitive test of the validity of a classification scheme proposed for nuclear-quadrupole-resonance spectral characteristics, and (ii) support for the proposition that the allowable, continuous distortions of a crystal are given by the nondisruptive criterion rather than the more restrictive group–subgroup criterion.

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