Affiliation:
1. Institut für Physikalische Chemie, Physikalische Chemie III, Technische Hochschule Darmstadt, Darmstadt, West Germany
Abstract
Abstract
The crystal structures of glycyl-l-alanine hydrobromide monohydrate, 1, and glycyl-l-alanine hydroiodide monohydrate, 2, were determined and the temperature dependence of the 127I NQR frequencies was investigated in the temperature range 77 <̳T/K <̳ 370. The 127I NQR frequencies are strongly influenced by hydrogen bonds and this is proved by the frequency shift of the H ⇄ D exchange. By deuteration the nuclear quadrupole coupling constant e2 qQh−1(127I) of 2 is shifted downwards 2.72 MHz at room temperature.
The title compounds are isotype, and at room temperature they crystallize monoclinic with the space group C2
2 − P21 with two molecules in the unit cell. The lattice constants for 1 are a = 1068.7 pm, b = 614.1 pm, c = 762.0 pm, and β= 108.55° and for 2 are a = 1093.3 pm, 6 = 637.1 pm, c = 770.9 pm, and β= 107.29°.
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics
Cited by
7 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. A Polymorph of Dipeptide Halide Glycyl-L-Alanine Hydroiodide Monohydrate: Crystal Structure, Optical Second Harmonic Generation, Piezoelectricity and Pyroelectricity;Materials;2023-05-12
2. Chlorine, Bromine, and Iodine Solid-State NMR;Encyclopedia of Magnetic Resonance;2011-06-15
3. Chapter 5 Chlorine, Bromine, and Iodine Solid-State NMR Spectroscopy;Annual Reports on NMR Spectroscopy;2009
4. Solid-state NMR spectroscopy of the quadrupolar halogens: chlorine-35/37, bromine-79/81, and iodine-127;Magnetic Resonance in Chemistry;2006
5. 79Br and 127I Nuclear Quadrupole Resonance Study of Para-Substituted Anilinium Halides, 4-RC6H4NH⊕3X⊖ with X = Br, I and R = Cl, Br, SCN, and OCH3. Crystal Structure of 4-Chloro- and 4-Bromoanilinium Bromide Hemihydrate;Berichte der Bunsengesellschaft für physikalische Chemie;1990-10