Photoelectron spectrum of a polycyclic aromatic nitrogen heterocyclic anion: quinoline-

被引：5

作者：

Buytendyk, Allyson M. ^{[1
]}

Wang, Yi ^{[1
]}

Graham, Jacob D. ^{[1
]}

Kandalam, Anil K. ^{[2
]}

Kiran, Boggavarapu ^{[3
]}

Bowen, Kit H. ^{[1
]}

机构：

[1] Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA

[2] West Chester Univ Penn, Dept Phys, W Chester, PA USA

[3] McNeese State Univ, Dept Chem, Lake Charles, LA 70605 USA

来源：

MOLECULAR PHYSICS | 2015年 / 113卷 / 15-16期

基金：

美国国家科学基金会;

关键词：

density functional theory; electron affinity; molecular anion; photoelectron spectroscopy; gas phase; IONIZATION-POTENTIALS; ELECTRON-AFFINITIES; DIPOLE MOMENTS; ISOQUINOLINE; DERIVATIVES; RESONANCES; MOLECULES;

D O I：

10.1080/00268976.2014.1003261

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report a joint photoelectron spectroscopic and theoretical study on the molecular anion, quinoline(-). Analysis of the vibrationally resolved photoelectron spectrum found the adiabatic electron affinity, EA(a)(C9H7N), to be 0.16 +/- 0.05eV. These findings were supported by density functional theory calculations. Our experimental and computational results demonstrate the unusual electrophilicity for a polycyclic aromatic heterocycle.

引用

页码：2095 / 2098

页数：4

共 30 条

[1] APPLICATIONS OF PHOTOELECTRON SPECTROSCOPY .29. PHOTOELECTRON SPECTRA OF AZABENZENES AND AZANAPHTHALENES .2. REINVESTIGATION OF AZANAPHTHALENES BY HIGH-RESOLUTION PHOTOELECTRON SPECTROSCOPY [J].

BROGLI, F ;

HEILBRON.E ;

KOBAYASH.T .

HELVETICA CHIMICA ACTA, 1972, 55 (01) :274-&

[2] THEORETICAL CALCULATION OF ELECTRIC DIPOLE MOMENTS FOR CONJUGATED SYSTEMS [J].

BROWN, RD ;

COLLER, BAW .

THEORETICA CHIMICA ACTA, 1967, 7 (04) :259-&

[3] THE DIPOLE MOMENTS OF PYRIDINE, QUINOLINE, AND ISOQUINOLINE AS VAPOURS AND AS SOLUTES [J].

BUCKINGHAM, AD ;

CHAU, JYH ;

FREEMAN, HC ;

LEFEVRE, RJW ;

RAO, DAASN ;

TARDIF, J .

JOURNAL OF THE CHEMICAL SOCIETY, 1956, (JUN) :1405-1411

[4] ELECTRONIC RELAXATION AS A CAUSE OF DIFFUSENESS IN ELECTRONIC SPECTRA [J].

BYRNE, JP ;

ROSS, IG .

AUSTRALIAN JOURNAL OF CHEMISTRY, 1971, 24 (06) :1107-+

[5] Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections [J].

Chai, Jeng-Da ;

Head-Gordon, Martin .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2008, 10 (44) :6615-6620

[6] Astronomical searches for nitrogen heterocycles [J].

Charnley, SB ;

Kuan, YJ ;

Huang, HC ;

Botta, O ;

Butner, HM ;

Cox, N ;

Despois, D ;

Ehrenfreund, P ;

Kisiel, Z ;

Lee, YY ;

Markwick, AJ ;

Peeters, Z ;

Rodgers, SD .

SPACE LIFE SCIENCES: ASTROBIOLOGY: STEPS TOWARD ORIGIN OF LIFE AND TITAN BEFORE CASSINI, 2005, 36 (02) :137-145

[7]

Dennington J.M. R., 2009, Gausswiev, V5

[8]

Ebenso EE, 2012, INT J ELECTROCHEM SC, V7, P5643

[9] UV photolysis of quinoline in interstellar ice analogs [J].

Elsila, Jamie E. ;

Hammond, Matthew R. ;

Bernstein, Max P. ;

Sandford, Scott A. ;

Zare, Richard N. .

METEORITICS & PLANETARY SCIENCE, 2006, 41 (05) :785-796

[10] CALCULATION OF ELECTRONIC SPECTRA OF AZA-BENZENES AND AZA-NAPHTHALENES BY PARISER-PARR-POPLE METHOD [J].

FAVINI, G ;

VANDONI, I ;

SIMONETT.M .

THEORETICA CHIMICA ACTA, 1965, 3 (01) :45-&

← 1 2 3 →