Fade-Out of <sup>35</sup>Cl NQR in Chloral n-Butylhemiacetal

Hashimoto, Masao; Isono, Takahiro; Niki, Hideaki; Higa, Takuya

doi:10.1515/zna-1990-3-445

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“…Download Date | 5/12/18 11:17 PM (T*) of CI NQR were measured by a conventional pulse spectrometer reported in [4].…”

Section: Unauthenticatedmentioning

confidence: 99%

“…According to the classification of intermolecular hydrogen bonds proposed by Jeffrey and Takagi [11], A dynamic disorder of hydrogen atoms in the hydrogen bond chain has been proposed as a probable source of the fluctuation of EFG responsible for the T x minimum of CI NQR found for nB-CH and cycHx-CH [4,5]. The intermolecular arrangement of the -CH(0H)-0-group in the hydrogen bond chain of pCB-CH is almost identical to those in nB-CH and cycHx-CH except for subtle differences in the intermolecular O • • O distances (see Table 3).…”

Section: Infrared (Ir) Spectrummentioning

confidence: 99%

“…In chloral n-butylhemiacetal (nB-CH) and chloral cyclohexylhemiacetyl (cycHx-CH), a dynamic disorder of hydrogen atoms in the OH groups seems to affect the Cl Ti of the CC1 3 groups [4,5], The possibility of the disorder in pCB-CH will be examined in this article.…”

Section: Introductionmentioning

confidence: 99%

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Reorientation of the CCl₃ Group in Chloral 4-Chlorobenzylhemiacetal. A Pulsed ³⁵Cl NQR and X-ray Study

Hashimoto

Isono

Yomesaka

et al. 1992

Zeitschrift Für Naturforschung A

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The crystal structure of the title compound was determined at 291 K: monoclinic, space group C^h-P21/n, Z = 4, a = 1693.2(1), 6 = 579.3(1), c = 1232.5(1) pm, and ß = 107.21 (1)°, R = 0.0415. A sharp decrease of of Cl NQR found at T> 270 K for the CC13 group is attributed to the reorientation of the group over a potential barrier of ca. 50 kJ/mol. Intermolecular interactions between the CC13 and the neighboring atoms seem to dominate the magnitude of the potential barrier. T{~1 of the 35 C1 NQR of the Cl atom on the benzene ring obeyed the T 2 law well in the range 80 < T/K <270, while at T>280 K it deviated from the T 2 law.

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“…Download Date | 5/12/18 11:17 PM (T*) of CI NQR were measured by a conventional pulse spectrometer reported in [4].…”

Section: Unauthenticatedmentioning

confidence: 99%

Section: Infrared (Ir) Spectrummentioning

confidence: 99%

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Reorientation of the CCl₃ Group in Chloral 4-Chlorobenzylhemiacetal. A Pulsed ³⁵Cl NQR and X-ray Study

Hashimoto

Isono

Yomesaka

et al. 1992

Zeitschrift Für Naturforschung A

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Crystal structures, molecular conformations, hydrogen bonds, and ³⁵Cl NQR in some chloral hemiacetals

Hashimoto

Isono

Mano

1994

Ber Bunsenges Phys Chem

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Crystal structures of chloral 4‐bromo‐, 4‐methyl‐, 2,4‐dichlorobenzylhemiacetals, and iso‐butylhemiacetal were determined by the single crystal X‐ray method at room temperature. Two modifications were found for the 2,4‐dichlorobenzyl derivative. A chiral chain of molecules formed by OH … O hydrogen bonds (H‐bonds) along a 21 axis is common to the crystals studied, except for iso‐butyl derivative where a centrosymmetric dimer is formed by H‐bonds. Conformation analyses were made using molecular mechanics. The crystal structures and IR spectra indicated that the H‐bonds in these crystals except for the 2,4‐dichlorobenzyl derivate were bifurcated ones. An intramolecular OH…Cl interaction was found in the iso‐butyl derivative. The relationship between the 35Cl NQR spectrum and the molecular structure are discussed.

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Fade-Out of ³⁵Cl NQR in Chloral n-Butylhemiacetal

Abstract: Continuous wave and pulsed NQR, dielectric absorption and infrared (IR) measurements were carried out to investigate the origin of the peculiar temperature dependence of the S/N ratio of the

Cited by 2 publications

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Reorientation of the CCl₃ Group in Chloral 4-Chlorobenzylhemiacetal. A Pulsed ³⁵Cl NQR and X-ray Study

Reorientation of the CCl₃ Group in Chloral 4-Chlorobenzylhemiacetal. A Pulsed ³⁵Cl NQR and X-ray Study

Crystal structures, molecular conformations, hydrogen bonds, and ³⁵Cl NQR in some chloral hemiacetals

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Fade-Out of 35Cl NQR in Chloral n-Butylhemiacetal

Abstract: Continuous wave and pulsed NQR, dielectric absorption and infrared (IR) measurements were carried out to investigate the origin of the peculiar temperature dependence of the S/N ratio of the

Cited by 2 publications

References 0 publications

Reorientation of the CCl3 Group in Chloral 4-Chlorobenzylhemiacetal. A Pulsed 35Cl NQR and X-ray Study

Reorientation of the CCl3 Group in Chloral 4-Chlorobenzylhemiacetal. A Pulsed 35Cl NQR and X-ray Study

Crystal structures, molecular conformations, hydrogen bonds, and 35Cl NQR in some chloral hemiacetals

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Fade-Out of ³⁵Cl NQR in Chloral n-Butylhemiacetal

Reorientation of the CCl₃ Group in Chloral 4-Chlorobenzylhemiacetal. A Pulsed ³⁵Cl NQR and X-ray Study

Reorientation of the CCl₃ Group in Chloral 4-Chlorobenzylhemiacetal. A Pulsed ³⁵Cl NQR and X-ray Study

Crystal structures, molecular conformations, hydrogen bonds, and ³⁵Cl NQR in some chloral hemiacetals