Electronic Spectrum of α-Hydrofulvenyl Radical (C6H7), and a Simple and Accurate Recipe for Predicting Adiabatic Ionization Energies of Resonance-Stabilized Hydrocarbon Radicals

Jonathan Flores; Massimo Ruscitti; Sima Khani; Neil J. Reilly

doi:10.1021/acs.jpca.4c04746

Electronic Spectrum of α-Hydrofulvenyl Radical (C₆H₇), and a Simple and Accurate Recipe for Predicting Adiabatic Ionization Energies of Resonance-Stabilized Hydrocarbon Radicals

Jonathan Flores
, Massimo Ruscitti
, Sima Khani
, Neil J. Reilly

Chemistry

University of Massachusetts Boston

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

Original language	English
Pages (from-to)	8123-8136
Number of pages	14
Journal	Journal of Physical Chemistry A
Volume	128
Issue number	38
DOIs	https://doi.org/10.1021/acs.jpca.4c04746
State	Published - Sep 26 2024

ASJC Scopus Subject Areas

Physical and Theoretical Chemistry

Access to Document

10.1021/acs.jpca.4c04746

Cite this

Electronic Spectrum of α-Hydrofulvenyl Radical (C₆H₇), and a Simple and Accurate Recipe for Predicting Adiabatic Ionization Energies of Resonance-Stabilized Hydrocarbon Radicals. / Flores, Jonathan; Ruscitti, Massimo; Khani, Sima et al.
In: Journal of Physical Chemistry A, Vol. 128, No. 38, 26.09.2024, p. 8123-8136.

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

@article{f190c29a42f04044add3f90260b3bfa1,

title = "Electronic Spectrum of α-Hydrofulvenyl Radical (C6H7), and a Simple and Accurate Recipe for Predicting Adiabatic Ionization Energies of Resonance-Stabilized Hydrocarbon Radicals",

author = "Jonathan Flores and Massimo Ruscitti and Sima Khani and Reilly, \{Neil J.\}",

note = "Publisher Copyright: {\textcopyright} 2024 American Chemical Society.",

year = "2024",

month = sep,

day = "26",

doi = "10.1021/acs.jpca.4c04746",

language = "English",

volume = "128",

pages = "8123--8136",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "American Chemical Society",

number = "38",

}

TY - JOUR

T1 - Electronic Spectrum of α-Hydrofulvenyl Radical (C6H7), and a Simple and Accurate Recipe for Predicting Adiabatic Ionization Energies of Resonance-Stabilized Hydrocarbon Radicals

AU - Flores, Jonathan

AU - Ruscitti, Massimo

AU - Khani, Sima

AU - Reilly, Neil J.

PY - 2024/9/26

Y1 - 2024/9/26

UR - https://www.scopus.com/pages/publications/85204097834

UR - https://www.scopus.com/pages/publications/85204097834#tab=citedBy

U2 - 10.1021/acs.jpca.4c04746

DO - 10.1021/acs.jpca.4c04746

M3 - Article

C2 - 39264134

AN - SCOPUS:85204097834

SN - 1089-5639

VL - 128

SP - 8123

EP - 8136

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 38

ER -

Electronic Spectrum of α-Hydrofulvenyl Radical (C₆H₇), and a Simple and Accurate Recipe for Predicting Adiabatic Ionization Energies of Resonance-Stabilized Hydrocarbon Radicals

ASJC Scopus Subject Areas

Access to Document

Other files and links

Fingerprint

Cite this