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Richter, Wagner E., Silva, Arnaldo F., Pitoli, Andrew C.L., Vazquez, Pedro A.M., Bruns, Roy E. (2013) QTAIM charge–charge flux–dipole flux models for the fundamental infrared intensities of BF3 and BCl3. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 116. 136-142 doi:10.1016/j.saa.2013.07.005

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Reference TypeJournal (article/letter/editorial)
TitleQTAIM charge–charge flux–dipole flux models for the fundamental infrared intensities of BF3 and BCl3
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
AuthorsRichter, Wagner E.Author
Silva, Arnaldo F.Author
Pitoli, Andrew C.L.Author
Vazquez, Pedro A.M.Author
Bruns, Roy E.Author
Year2013 (December)Volume116
PublisherElsevier BV
DOIdoi:10.1016/j.saa.2013.07.005Search in ResearchGate
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Mindat Ref. ID16394400Long-form Identifiermindat:1:5:16394400:9
GUID0
Full ReferenceRichter, Wagner E., Silva, Arnaldo F., Pitoli, Andrew C.L., Vazquez, Pedro A.M., Bruns, Roy E. (2013) QTAIM charge–charge flux–dipole flux models for the fundamental infrared intensities of BF3 and BCl3. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 116. 136-142 doi:10.1016/j.saa.2013.07.005
Plain TextRichter, Wagner E., Silva, Arnaldo F., Pitoli, Andrew C.L., Vazquez, Pedro A.M., Bruns, Roy E. (2013) QTAIM charge–charge flux–dipole flux models for the fundamental infrared intensities of BF3 and BCl3. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 116. 136-142 doi:10.1016/j.saa.2013.07.005
In(2013) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Vol. 116. Elsevier BV

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Duarte, Leonardo J., Silva, Arnaldo F., Richter, Wagner E., Bruns, Roy E. (2018) FTIR and dispersive gas phase fundamental infrared intensities of the fluorochloromethanes: Comparison with QCISD/cc-pVTZ results. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 205. 269-275 doi:10.1016/j.saa.2018.07.020
Richter, Wagner E., Duarte, Leonardo J., Bruns, Roy E. (2021) Atomic charge and atomic dipole modeling of gas-phase infrared intensities of fundamental bands for out-of-plane CH and CF bending vibrations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 251. 119393 doi:10.1016/j.saa.2020.119393
da Silva,, João Viçozo, Haiduke, Roberto L. A., Bruns, Roy E. (2006) QTAIM Charge−Charge Flux−Dipole Flux Models for the Infrared Fundamental Intensities of the Fluorochloromethanes. The Journal of Physical Chemistry A, 110 (14). 4839-4845 doi:10.1021/jp060553h
Viçozo da Silva,, João, Faria, Sérgio H. D. M., Haiduke, Roberto L. A., Bruns, Roy E. (2007) QTAIM Charge−Charge Flux−Dipole Flux Models for the Infrared Fundamental Intensities of Difluoro- and Dichloroethylenes. The Journal of Physical Chemistry A, 111 (3). 515-520 doi:10.1021/jp065422v
Duarte, Leonardo J., Richter, Wagner E., Silva, Arnaldo F., Bruns, Roy E. (2020) Quantum chemical intensity determinations of overlapped gas phase infrared bands. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 230. 118067 doi:10.1016/j.saa.2020.118067
Silva, Arnaldo F., Richter, Wagner E., Bruns, Roy E. (2014) Quantum Theory of Atoms in Molecules/Charge–Charge Flux–Dipole Flux interpretation of fundamental vibrational intensity enhancements on H-bond formation of water trimer. Chemical Physics Letters, 610. 14-18 doi:10.1016/j.cplett.2014.07.002
Silva, Arnaldo F., Richter, Wagner E., Terrabuio, Luiz A., Haiduke, Roberto L. A., Bruns, Roy E. (2014) Quantum theory of atoms in molecules/charge-charge flux-dipole flux models for fundamental vibrational intensity changes on H-bond formation of water and hydrogen fluoride. The Journal of Chemical Physics, 140 (8). 84306pp. doi:10.1063/1.4865938
Silva, Arnaldo F., da Silva, João V., Haiduke, R. L. A., Bruns, Roy E. (2011) QTAIM Charge–Charge Flux–Dipole Flux Interpretation of Electronegativity and Potential Models of the Fluorochloromethane Mean Dipole Moment Derivatives. The Journal of Physical Chemistry A, 115 (45). 12572-12581 doi:10.1021/jp202929s
Richter, Wagner E., Bruns, Roy E. (2016) Revisiting the integrated infrared intensities and atomic polar tensors of the boron trihalides. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 164. 123-127 doi:10.1016/j.saa.2016.04.013
Haiduke, Roberto L. A., Bruns, Roy E. (2005) An Atomic Charge−Charge Flux−Dipole Flux Atom-in-Molecule Decomposition for Molecular Dipole-Moment Derivatives and Infrared Fundamental Intensities. The Journal of Physical Chemistry A, 109 (11). 2680-2688 doi:10.1021/jp045357u
Silva, Arnaldo F., Richter, Wagner E., Meneses, Helen G. C., Faria, Sergio H. D. M., Bruns, Roy E. (2012) How Accessible Is Atomic Charge Information from Infrared Intensities? A QTAIM/CCFDF Interpretation. The Journal of Physical Chemistry A, 116 (31). 8238-8249 doi:10.1021/jp304474e
 
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