Pressure effects on H-ordering in hydrogen bonds and interactions in benzoic acid

Unusual behavior of benzoic acid at low temperature: Raman spectroscopic study

“…The weakening of the mode intensity down to zero at low temperature occurs in the absence of any structural phase transition in the crystal [16]. However, it has been known by Cai and Katrusiak [17] that the proton ordering at low temperature is accompanied by changing of the mutual orientation of H-bonded carboxyl groups (i.e. "skewness", see Ref.…”

Structural, spectroscopic and theoretical studies of dimethylphenyl betaine complex with two molecules of 2,6-dichloro-4-nitro-phenol

“…the is not confirmed by OAHÁ Á ÁO angles, which are about 152°. However, the Donohue angles [33][34][35] clearly indicate that the O(3)HÁ Á ÁO(1) bond is more relaxed: the C(11)AO(3)Á Á ÁO(1) angle is 128.4(3)°and C(10)AO(1)Á Á ÁO(3) 121.7(3)°, i.e. close to the optimal opening of about 120°, consistently with the oxygen atoms hybridization [36,37].…”

High Pressure Structural Investigation of Benzoic Acid: Raman Spectroscopy and X-ray Diffraction

“…GPa. 30 Upon further compression to 3.6 GPa, all the peaks become broadened and show gradual decrease in intensities. A peak marked with an asterisk appears in the low frequency region at around 55 cm -1 , which could be due to the great blue shift of 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 this mode from low frequency.…”

“…The structural stability of BA is also in agreement with the single-crystal X-ray diffraction experiment. 30 The comparison of diffraction patterns of BA is presented in Figure S2. 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 There are no abnormal changes observed in both XRD experiments, which indicate the stable of the BA crystal structure.…”