Intrinsic relative scales of electrophilicity and nucleophilicity

Eduardo Chamorro; Mario Duque-Noreña; Rafael Notario; Patricia Pérez

doi:10.1021/jp312143t

Intrinsic relative scales of electrophilicity and nucleophilicity

Eduardo Chamorro, Mario Duque-Noreña, Rafael Notario, Patricia Pérez

Facultad Ciencias Exactas

Resultado de la investigación: Contribución a una revista › Artículo

14 Citas (Scopus)

Resumen

The formulation of the second-order perturbation approach to the stabilization energy of the A-B interacting species due to charge transfer is revisited. Intrinsic (i.e., electronic) theoretical indices for both relative electrophilicity and nucleophilicity are proposed for any electrophile (A)-nucleophile (B) pairs of combining species. By using the new descriptors, an electronic analogue to the Mayr-Patz linear free relationship has been successfully tested in the context of available experimental evidence reported for reactions of primary and secondary amines with benzhydrylium ions.

Idioma original	Inglés
Páginas (desde-hasta)	2636-2643
Número de páginas	8
Publicación	Journal of Physical Chemistry A
Volumen	117
N.º	12
DOI	https://doi.org/10.1021/jp312143t
Estado	Publicada - 28 mar 2013

Áreas temáticas de ASJC Scopus

Química física y teórica

Acceder al documento

10.1021/jp312143t

Link to publication in Scopus

Huella Profundice en los temas de investigación de 'Intrinsic relative scales of electrophilicity and nucleophilicity'. En conjunto forman una huella única.

Citar esto

Chamorro, E., Duque-Noreña, M., Notario, R., & Pérez, P. (2013). Intrinsic relative scales of electrophilicity and nucleophilicity. Journal of Physical Chemistry A, 117(12), 2636-2643. https://doi.org/10.1021/jp312143t

@article{2549d064cabf4d9f992992c54e096038,

title = "Intrinsic relative scales of electrophilicity and nucleophilicity",

abstract = "The formulation of the second-order perturbation approach to the stabilization energy of the A-B interacting species due to charge transfer is revisited. Intrinsic (i.e., electronic) theoretical indices for both relative electrophilicity and nucleophilicity are proposed for any electrophile (A)-nucleophile (B) pairs of combining species. By using the new descriptors, an electronic analogue to the Mayr-Patz linear free relationship has been successfully tested in the context of available experimental evidence reported for reactions of primary and secondary amines with benzhydrylium ions.",

author = "Eduardo Chamorro and Mario Duque-Nore{\~n}a and Rafael Notario and Patricia P{\'e}rez",

year = "2013",

month = mar,

day = "28",

doi = "10.1021/jp312143t",

language = "English",

volume = "117",

pages = "2636--2643",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "12",

}

TY - JOUR

T1 - Intrinsic relative scales of electrophilicity and nucleophilicity

AU - Chamorro, Eduardo

AU - Duque-Noreña, Mario

AU - Notario, Rafael

AU - Pérez, Patricia

PY - 2013/3/28

Y1 - 2013/3/28

N2 - The formulation of the second-order perturbation approach to the stabilization energy of the A-B interacting species due to charge transfer is revisited. Intrinsic (i.e., electronic) theoretical indices for both relative electrophilicity and nucleophilicity are proposed for any electrophile (A)-nucleophile (B) pairs of combining species. By using the new descriptors, an electronic analogue to the Mayr-Patz linear free relationship has been successfully tested in the context of available experimental evidence reported for reactions of primary and secondary amines with benzhydrylium ions.

AB - The formulation of the second-order perturbation approach to the stabilization energy of the A-B interacting species due to charge transfer is revisited. Intrinsic (i.e., electronic) theoretical indices for both relative electrophilicity and nucleophilicity are proposed for any electrophile (A)-nucleophile (B) pairs of combining species. By using the new descriptors, an electronic analogue to the Mayr-Patz linear free relationship has been successfully tested in the context of available experimental evidence reported for reactions of primary and secondary amines with benzhydrylium ions.

UR - http://www.scopus.com/inward/record.url?scp=84875713347&partnerID=8YFLogxK

U2 - 10.1021/jp312143t

DO - 10.1021/jp312143t

M3 - Article

C2 - 23350794

AN - SCOPUS:84875713347

VL - 117

SP - 2636

EP - 2643

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

SN - 1089-5639

IS - 12

ER -