Watch the Dallas Symposium LIVE, and fundraiser auction
Ticket proceeds support mindat.org! - click here...
Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Arivazhagan, M., Anitha Rexalin, D. (2012) FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 96. 668-676 doi:10.1016/j.saa.2012.07.040

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleFT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsArivazhagan, M.Author
Anitha Rexalin, D.Author
Year2012 (October)Volume96
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2012.07.040Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16392945Long-form Identifiermindat:1:5:16392945:7
GUID0
Full ReferenceArivazhagan, M., Anitha Rexalin, D. (2012) FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 96. 668-676 doi:10.1016/j.saa.2012.07.040
Plain TextArivazhagan, M., Anitha Rexalin, D. (2012) FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 96. 668-676 doi:10.1016/j.saa.2012.07.040
In(2012) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 96. Elsevier BV

See Also

These are possibly similar items as determined by title/reference text matching only.

Arivazhagan, M., Anitha Rexalin, D., Ilango, G. (2014) DFT analysis of P-nitrobenzotrifluoride – A combined study of experimental (FT-IR and FT-Raman) and theoretical calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 121. 641-649 doi:10.1016/j.saa.2013.09.053
Ramalingam, S., Periandy, S., Elanchezhian, B., Mohan, S. (2011) FT-IR and FT-Raman spectra and vibrational investigation of 4-chloro-2-fluoro toluene using ab initio HF and DFT (B3LYP/B3PW91) calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 78 (1) 429-436 doi:10.1016/j.saa.2010.11.005
Prabakaran, A., Muthu, S. (2012) Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid using ab initio HF and DFT method. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 99. 90-96 doi:10.1016/j.saa.2012.09.014
Mahadevan, D., Periandy, S., Ramalingam, S. (2011) FT-IR and FT-Raman, vibrational assignments, molecular geometry, ab initio (HF) and DFT (B3LYP) calculations for 1,3-dichlorobenzene. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 79 (5) 962-969 doi:10.1016/j.saa.2011.04.003
Govindarajan, M., Karabacak, M., Suvitha, A., Periandy, S. (2012) FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO–LUMO and electronic structure calculations on 4-chloro-3-nitrotoluene. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 89. 137-148 doi:10.1016/j.saa.2011.12.067
Arivazhagan, M., Anitha Rexalin, D. (2011) Vibrational spectral analysis and first hyperpolarizability studies of 1-bromonaphthalene based on ab initio and DFT methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 83 (1) 553-560 doi:10.1016/j.saa.2011.08.080
Al-Otaibi, Jamelah S., Al-Wabli, Reem I. (2015) Vibrational spectroscopic investigation (FT-IR and FT-Raman) using ab initio (HF) and DFT (B3LYP) calculations of 3-ethoxymethyl-1,4-dihydroquinolin-4-one. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 137. 7-15 doi:10.1016/j.saa.2014.08.013
Nagabalasubramanian, P.B., Periandy, S., Mohan, S. (2010) Ab initio HF and DFT simulations, FT-IR and FT-Raman vibrational analysis of α-chlorotoluene. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 77 (1) 150-159 doi:10.1016/j.saa.2010.04.043
Arivazhagan, M., Jeyavijayan, S. (2011) FTIR and FT-Raman spectra, assignments, ab initio HF and DFT analysis of xanthine. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 79 (1) 161-168 doi:10.1016/j.saa.2011.02.029
Shoba, D., Karabacak, M., Periandy, S., Ramalingam, S. (2011) FT-IR and FT-Raman vibrational analysis, ab initio HF and DFT simulations of isocyanic acid 1-naphthyl ester. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 81 (1) 504-518 doi:10.1016/j.saa.2011.06.044
Kumru, M., Küçük, V., Kocademir, M. (2012) Determination of structural and vibrational properties of 6-quinolinecarboxaldehyde using FT-IR, FT-Raman and Dispersive-Raman experimental techniques and theoretical HF and DFT (B3LYP) methods. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 96. 242-251 doi:10.1016/j.saa.2012.05.001
 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: August 20, 2025 05:47:48
Go to top of page