FTIR and Raman spectra and SQM force field calculation for vibrational analysis of 2,3,4- and 2,3,6-tri-fluoro-anilines

Mukherjee, V.; Singh, Karunakar; Singh, Nafa; Yadav, Ruchika

doi:10.1016/j.saa.2009.01.024

Cited by 19 publications

(4 citation statements)

References 34 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…100%) [30]. In the present case these modes are computed at 3423 and 3516 cm −1 symmetric and asymmetric modes respectively and observed 3430 cm −1 (FT-IR) and 3372 cm −1 (FT-Raman) only symmetric modes for 3,4-DFA molecule.…”

Section: Nh 2 (Amino Group) Modesmentioning

confidence: 50%

“…Infrared spectrum of 2,3-fluoroaniline were recorded and vibrational assignments for the observed fundamental frequencies were proposed [29]. Recently, Mukherjee and coworkers [30,31] reported vibrational spectra and computational studies of tri-fluoroanilines (2,3,4-, 2,3,6-and 2,4,5-, 2,4,6-) by using the HF and B3LYP methods. 3,5-DFA was investigated with experimental and computational methods by Pathak et al [32].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

The spectroscopic and quantum chemical studies of 3,4-difluoroaniline

Kose

Karabacak

Ataç

2015

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

View full text Add to dashboard Cite

Section: Nh 2 (Amino Group) Modesmentioning

confidence: 50%

Section: Introductionmentioning

confidence: 99%

The spectroscopic and quantum chemical studies of 3,4-difluoroaniline

Kose

Karabacak

Ataç

2015

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

View full text Add to dashboard Cite

“…As shown in Figure S1, PP‐LL‐LC‐TFA presents a uniformly dense and transparent solid state with a thickness of only 53 μm and a large amount of Cs and P elements from CsPF 6 uniformly distributed inside. The presence of 2,4,6‐TFA in PP‐LL‐LC‐TFA is confirmed by the characteristic peaks with Raman shift located at 284, 460, 1292 cm −1 , etc [22] . (Figure S2).…”

Section: Resultsmentioning

confidence: 78%

Build a High‐Performance All‐Solid‐State Lithium Battery through Introducing Competitive Coordination Induction Effect in Polymer‐Based Electrolyte

Wang,

Chen,

Liu

et al. 2024

Angewandte Chemie

View full text Add to dashboard Cite

Polymer‐inorganic composite electrolytes (PICE) have attracted tremendous attention in all‐solid‐state lithium batteries (ASSLBs) due to facile processability. However, the poor Li+ conductivity at room temperature (RT) and interfacial instability severely hamper the practical application. Herein, we propose a concept of competitive coordination induction effects (CCIE) and reveal the essential correlation between the local coordination structure and the interfacial chemistry in PEO‐based PICE. CCIE introduction greatly enhances the ionic conductivity and electrochemical performances of ASSLBs at 30°C. Owing to the competitive coordination (Cs+…TFSI−…Li+, Cs+…C‐O‐C…Li+ and 2,4,6‐TFA…Li…TFSI−) from the competitive cation (Cs+ from CsPF6) and molecule (2,4,6‐TFA: 2,4,6‐trifluoroaniline), a multimodal weak coordination environment of Li+ is constructed enabling a high efficient Li+ migration at 30oC (Li+ conductivity: 6.25×10−4 S cm−1; tLi+ = 0.61). Since Cs+ tends to be enriched at the interface, TFSI− and PF6−in‐situ form LiF‐Li3N‐Li2O‐Li2S enriched solid electrolyte interface with electrostatic shielding effects. The assembled ASSLBs without adding interfacial wetting agent exhibit outstanding rate capability (LiFePO4: 147.44mAh g−1@1C and 107.41mAhg−1@2C) and cycling stability at 30oC (LiFePO4:94.65%@200cycles@0.5C; LiNi0.5Co0.2Mn0.3O2: 94.31%@200cycles@0.3C). This work proposes a concept of CCIE and reveals its mechanism in designing PICE with high ionic conductivity as well as high interfacial compatibility at near RT for high‐performance ASSLBs.

show abstract

“…Recently, we have reported the vibrational spectra of some tri fluorinated benzonitriles, anilines and benzoic acids [9][10][11][12][13][14]. Although, ample literatures have been found with the vibrational study of benzoic acid and its several derivatives in monomeric and dimeric forms [15][16][17][18][19][20][21][22][23][24][25][26][27][28] yet vibrational analysis of fluorinated benzoic acid is a subject of attention in that only vibrational spectra of p-fluorobenzoic acid [29] has been reported so far excluding 0022-2860/$ -see front matter Ó 2010 Elsevier B.V. All rights reserved.…”

Section: Introductionmentioning

confidence: 99%