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Alkorta, Ibon, Elguero, José (2020) Theoretical calculations of the chemical shifts of cyclo[n]phosphazenes for n = 2, 3, 4 and 5 (X2PN)n with X = CH3, F, Cl and Br: the effect of relativistic corrections. Phosphorus, Sulfur, and Silicon and the Related Elements, 195. 307-313 doi:10.1080/10426507.2019.1688812

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Reference TypeJournal (article/letter/editorial)
TitleTheoretical calculations of the chemical shifts of cyclo[n]phosphazenes for n = 2, 3, 4 and 5 (X2PN)n with X = CH3, F, Cl and Br: the effect of relativistic corrections
JournalPhosphorus, Sulfur, and Silicon and the Related Elements
AuthorsAlkorta, IbonAuthor
Elguero, JoséAuthor
Year2020 (April 2)Volume195
PublisherInforma UK Limited
DOIdoi:10.1080/10426507.2019.1688812Search in ResearchGate
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Mindat Ref. ID9771885Long-form Identifiermindat:1:5:9771885:7
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Full ReferenceAlkorta, Ibon, Elguero, José (2020) Theoretical calculations of the chemical shifts of cyclo[n]phosphazenes for n = 2, 3, 4 and 5 (X2PN)n with X = CH3, F, Cl and Br: the effect of relativistic corrections. Phosphorus, Sulfur, and Silicon and the Related Elements, 195. 307-313 doi:10.1080/10426507.2019.1688812
Plain TextAlkorta, Ibon, Elguero, José (2020) Theoretical calculations of the chemical shifts of cyclo[n]phosphazenes for n = 2, 3, 4 and 5 (X2PN)n with X = CH3, F, Cl and Br: the effect of relativistic corrections. Phosphorus, Sulfur, and Silicon and the Related Elements, 195. 307-313 doi:10.1080/10426507.2019.1688812
In(n.d.) Phosphorus, Sulfur, and Silicon and the Related Elements Vol. 195. Informa UK Limited

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Alkorta, Ibon, Elguero, José (2018) A theoretical study of perovskites related to CH3NH3PbX3 (X = F, Cl, Br, I). New Journal of Chemistry, 42. 13889-13898 doi:10.1039/c8nj01879k
Alkorta, Ibon, Elguero, José (2006) Theoretical study of the bond energy in n-silanes and n-germanes: Comparison with n-alkanes. Chemical Physics Letters, 429. 58-61 doi:10.1016/j.cplett.2006.08.012
Alkorta, Ibon, Elguero, José, Del Bene, Janet E. (2015) Exploring the PX3:NCH and PX3:NH3 potential surfaces, with X = F, Cl, and Br. Chemical Physics Letters, 641. 84-89 doi:10.1016/j.cplett.2015.10.050
Krishnamurthy, S. S. (1994) Phosphazenes and Phosphazanes—The Nature of the P-N Bond. Phosphorus, Sulfur, and Silicon and the Related Elements, 87. 101-111 doi:10.1080/10426509408037444
Şen, Fatih, Cukurovali, Alaaddin (2020) Preparation, molecular definition, spectroscopic characterization and density functional theory calculations on N’-(4-(3-methyl-3-phenylcyclobutyl)-3-phenylthiazol-2(3H)-ylidene)benzenesulfonohydrazide. Phosphorus, Sulfur, and Silicon and the Related Elements, 195 (7) 562-569 doi:10.1080/10426507.2020.1728758
Riesel, Lothar, Friebe, Robert, Sturm, Detlef (1993) Synthesis and Reactivity of N-Phosphanyl Phosphazenes. Phosphorus, Sulfur, and Silicon and the Related Elements, 76. 207-210 doi:10.1080/10426509308032395
Del Bene, Janet E., Alkorta, Ibon, Elguero, José (2013) Characterizing Complexes with Pnicogen Bonds Involving sp2 Hybridized Phosphorus Atoms: (H2C═PX)2 with X = F, Cl, OH, CN, NC, CCH, H, CH3, and BH2. The Journal of Physical Chemistry A, 117 (31). 6893-6903 doi:10.1021/jp4063109
Azofra, Luis Miguel, Alkorta, Ibon, Elguero, José (2012) A theoretical study of hemiacetal formation from the reaction of methanol with derivatives of CX3CHO (X = H, F, Cl, Br and I). Journal of Physical Organic Chemistry, 25 (12). 1286-1292 doi:10.1002/poc.3017
Fleischer, U., Kutzelnigg, W. (1993) IGLO Calculations of Phosphorus NMR Chemical Shifts. Phosphorus, Sulfur, and Silicon and the Related Elements, 77. 105-108 doi:10.1080/10426509308045630
Alkorta, Ibon, Elguero, José, Del Bene, Janet E. (2013) Pnicogen-Bonded Cyclic Trimers (PH2X)3 with X = F, Cl, OH, NC, CN, CH3, H, and BH2. The Journal of Physical Chemistry A, 117 (23). 4981-4987 doi:10.1021/jp403651h
Del Bene, Janet E., Alkorta, Ibon, Elguero, José (2021) Microsolvation of the Be-F bond in complexes of BeF2, BeF3–1, and BeF4–2 with nH2O, for n = 1–6. Molecular Physics, 119 (12) doi:10.1080/00268976.2021.1933637
 
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