Role of donor-acceptor functional groups in N3P3 cyclic-triphosphazene backbone. Unraveling bonding characteristics from natural orbitals within an extended transition state-natural orbital for the chemical valence scheme

Cristian Linares-Flores; Rodrigo Ramirez-Tagle; Macarena Rojas-Poblete; Ramiro Arratia-Perez; Alvaro Muñoz-Castro; Raul Guajardo-Maturana

doi:10.1002/qua.26057

Role of donor-acceptor functional groups in N₃P₃ cyclic-triphosphazene backbone. Unraveling bonding characteristics from natural orbitals within an extended transition state-natural orbital for the chemical valence scheme

Cristian Linares-Flores, Rodrigo Ramirez-Tagle, Macarena Rojas-Poblete, Ramiro Arratia-Perez, Alvaro Muñoz-Castro, Raul Guajardo-Maturana

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Original language	English
Article number	e26057
Journal	International Journal of Quantum Chemistry
Volume	120
Issue number	1
DOIs	https://doi.org/10.1002/qua.26057
Publication status	Published - 1 Jan 2020

Keywords

cyclic-phosphazene
ETS-NOCV
sigma and pi contributions

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1002/qua.26057

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Linares-Flores, C., Ramirez-Tagle, R., Rojas-Poblete, M., Arratia-Perez, R., Muñoz-Castro, A., & Guajardo-Maturana, R. (2020). Role of donor-acceptor functional groups in N₃P₃ cyclic-triphosphazene backbone. Unraveling bonding characteristics from natural orbitals within an extended transition state-natural orbital for the chemical valence scheme. International Journal of Quantum Chemistry, 120(1), Article e26057. https://doi.org/10.1002/qua.26057

Linares-Flores, Cristian ; Ramirez-Tagle, Rodrigo ; Rojas-Poblete, Macarena et al. / Role of donor-acceptor functional groups in N₃P₃ cyclic-triphosphazene backbone. Unraveling bonding characteristics from natural orbitals within an extended transition state-natural orbital for the chemical valence scheme. In: International Journal of Quantum Chemistry. 2020 ; Vol. 120, No. 1.

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author = "Cristian Linares-Flores and Rodrigo Ramirez-Tagle and Macarena Rojas-Poblete and Ramiro Arratia-Perez and Alvaro Mu{\~n}oz-Castro and Raul Guajardo-Maturana",

note = "Funding Information: The author thanks the financial support of FONDECYT 3160682, FONDECYT 1180683, FONDECYT 3190335 and CONICYT + PAI/CONVOCATORIA NACIONAL SUBVENCION A LA INSTALACION ACADEMICA, CONVOCATORIA 2017 + PAI77170033. Publisher Copyright: {\textcopyright} 2019 Wiley Periodicals, Inc.",

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Linares-Flores, C, Ramirez-Tagle, R, Rojas-Poblete, M, Arratia-Perez, R, Muñoz-Castro, A & Guajardo-Maturana, R 2020, 'Role of donor-acceptor functional groups in N₃P₃ cyclic-triphosphazene backbone. Unraveling bonding characteristics from natural orbitals within an extended transition state-natural orbital for the chemical valence scheme', International Journal of Quantum Chemistry, vol. 120, no. 1, e26057. https://doi.org/10.1002/qua.26057

Role of donor-acceptor functional groups in N₃P₃ cyclic-triphosphazene backbone. Unraveling bonding characteristics from natural orbitals within an extended transition state-natural orbital for the chemical valence scheme. / Linares-Flores, Cristian; Ramirez-Tagle, Rodrigo; Rojas-Poblete, Macarena et al.
In: International Journal of Quantum Chemistry, Vol. 120, No. 1, e26057, 01.01.2020.

Research output: Contribution to journal › Article › peer-review

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AU - Linares-Flores, Cristian

AU - Ramirez-Tagle, Rodrigo

AU - Rojas-Poblete, Macarena

AU - Arratia-Perez, Ramiro

AU - Muñoz-Castro, Alvaro

AU - Guajardo-Maturana, Raul

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PY - 2020/1/1

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KW - sigma and pi contributions

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Linares-Flores C, Ramirez-Tagle R, Rojas-Poblete M, Arratia-Perez R, Muñoz-Castro A, Guajardo-Maturana R. Role of donor-acceptor functional groups in N₃P₃ cyclic-triphosphazene backbone. Unraveling bonding characteristics from natural orbitals within an extended transition state-natural orbital for the chemical valence scheme. International Journal of Quantum Chemistry. 2020 Jan 1;120(1):e26057. doi: 10.1002/qua.26057