Chlorine-35 NQR study of inter- and intramolecular interactions in chlorophenols, aniline-chlorophenol complexes and chloroanisoles

Bayle, J. P.; Jullien, J.; Stahl-Larivière, H.; Guibé, L.

doi:10.1016/0022-2860(80)85050-2

Cited by 27 publications

(10 citation statements)

References 17 publications

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“…The fact that this is not so, can be attributed either to intermolecular effects due to packing (crystal field effects) or to the methoxy group being a little asymmetric with respect to the two ortho chlorines. The 2-chlorine is assumed to have the higher frequency, and if one takes into account the higher Kj value quoted by Bayle et al [9] for the ortho chlorine to wards which the methoxy group points, it is possible to state that the methoxy group must point a little towards the 2-chlorine. The two chlorines in the meta position also show dif ferent resonance frequencies.…”

Section: Discussionmentioning

confidence: 99%

“…In contrast to chloroanisoles, phenols have the hydroxyl group. Orthochlorophenols exhibit both inter-and intramolecular hydro gen bonding, the ortho-chlorine playing an important role [1][2][3][4][5][6][7][8][9]. Chloroanisoles do not exhibit any hydrogen bonding [1][2][3][4][5][6][7][8][9][10].…”

Section: Introductionmentioning

confidence: 99%

“…Chloroanisoles do not exhibit any hydrogen bonding [1][2][3][4][5][6][7][8][9][10]. Bayle et al [9] have studied the effects of inter-and intra-molecular hydrogen bonding in chlorophenols by comparing their 35C1 NQR frequencies, at room temperature and at 77 K, with those of the corre sponding chloroanisoles. High pressure NQR studies have been carried out in phenols by Krishnamoorthy et al [8], but no such investigations are reported in chloroanisoles.…”

Section: Introductionmentioning

confidence: 99%

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Pressure Dependence of the Chlorine NQR in Three Solid Chloro Anisoles

Suresh

Ramesh

Rao

et al. 2001

Zeitschrift Für Naturforschung A

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The 35C1 Nuclear Quadrupole Resonance (NQR) frequency ( V q ) and spin lattice relaxation time (T{) in the three anisoles 2,3,4-trichloroanisole, 2,3,6-trichloroanisole and 3,5-dichloroanisole have been measured as a function of pressure upto 5.1 kbar at 300 K, and the data have been analysed to estimate the temperature coefficients of the NQR frequency at constant volume. All the three com pounds show a non linear variation of the NQR frequency with pressure, the rate of which is positive and decreases with increasing pressure. In case of 3,5-dichloroanisole the value becomes negative in the higher range of pressure studied. The spin lattice relaxation time T{ in all the three compounds shows a weak dependence on pressure, indicating that the relaxation is mainly due to the torsional motions.

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Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Pressure Dependence of the Chlorine NQR in Three Solid Chloro Anisoles

Suresh

Ramesh

Rao

et al. 2001

Zeitschrift Für Naturforschung A

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“…The total range of parachlorine NQR frequencies in all of these salts thus is at least about 2.0 MHz. Bayle [21] noted an unusually high NQR frequency for the para-chlorine in sodium p-chlorophenolate (but not sodium o-chlorophenolate), and attributed it to a mesomeric effect of the unshared oxygen electron pair, which could reduce C-Cl n bond orders. This could raise the NQR frequency provided that there was not a corresponding drift of the C-Cl a bond electrons, which may be unlikely at the remote para position.…”

Section: Discussionmentioning

confidence: 99%

Dioxin Precursors: NQR Studies of Group 1 and Related 2,6-Dichlorophenolate and 2,4,6-Trichlorophenolate Salts

Wulfsberg

Shadid

Farris

et al. 1992

Zeitschrift Für Naturforschung A

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The 81 Br and 35 C1 NQR spectra of anhydrous Group 1, tetraalkylammonium, and thallium(I) 2,6-dichlorophenolates, 2,4,6-trichlorophenolates, and 4-bromo-2,6-dichlorophenolates were searched for evidence of solid-state cation-organochlorine interactions that might, for example, be (in part) responsible for the difference in the thermal decomposition reactions of these salts (to give the supertoxic environmental pollutants, the polychlorinated dibenzodioxins) versus those of the corresponding Group 11 chlorophenolate complexes, which do not decompose to dioxins.For cations ranging in size from tetraethylammonium to potassium, the total range of 35 C1 NQR frequencies in 2,6-dichlorophenolate and 2,4,6-trichlorophenolate salts is only 1.401 MHz, which, although larger than the 0.7 MHz range likely in molecular chlorocarbons, is smaller than in individual chlorophenolates of copper(I) and silver(I) (up to 2.0 MHz). In sodium and thallium(I) 2,4,6-trichlorophenolates substantially large frequency shifts (ca. 2.0 MHz) occur, to higher frequencies for the para-chlorines and lower frequencies for the ortho-chlorines (Na only). These disappear even in closely related compounds and show a pattern that seems unrelated to the decomposition products of the chlorophenolates.

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“…The observation of pure nuclear quadrupole resonance (NQR) in chlorine substituted benzene derivatives has been of interest for many years [1,2] and the temperature dependence of the 35 Cl NQR frequency reveals details of the internal motions and structural phase transitions if any. In general, the 35 Cl NQR frequency increases with decreasing temperature and this is understood on the basis of Bayer's theory [3] with its many modifications [4][5][6].…”

Section: Introductionmentioning

confidence: 99%

Temperature Dependence of Internal Torsional Frequencies in 3,4-Dichloro Nitrobenzene and 4-Chloro 2 Nitrophenol Using NQR Data

Rukmani

Rani

2009

Acta Phys. Pol. A

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The temperature variation of the nuclear quadrupole resonance frequency in the two compounds 3,4-dichloro nitrobenzene and 4-chloro 2 nitrophenol were analyzed in the light of the Kushida and Brown models. The internal torsional frequencies at each temperature was calculated using Bayer's model with Tatsuzaki correction under a two-mode approximation to obtain the temperature variation of the torsional frequencies in both compounds. The torsional frequencies are seen to lie between 25 cm −1 and 85 cm −1 in the first compound and between 30 cm −1and 42 cm −1 in the case of the second compound. The temperature dependence of the torsional frequencies is linear above 150 K in the first compound and is linear throughout the range 77 K to 350 K in the second. The smaller temperature dependence in the second compound may be the effect of hydrogen bonding in this compound.

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Chlorine-35 NQR study of inter- and intramolecular interactions in chlorophenols, aniline-chlorophenol complexes and chloroanisoles

Cited by 27 publications

References 17 publications

Pressure Dependence of the Chlorine NQR in Three Solid Chloro Anisoles

Pressure Dependence of the Chlorine NQR in Three Solid Chloro Anisoles

Dioxin Precursors: NQR Studies of Group 1 and Related 2,6-Dichlorophenolate and 2,4,6-Trichlorophenolate Salts

Temperature Dependence of Internal Torsional Frequencies in 3,4-Dichloro Nitrobenzene and 4-Chloro 2 Nitrophenol Using NQR Data

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