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Volumn 3, Issue 3, 2012, Pages 304-308

Probing the low-lying electronic states of cyclobutanetetraone (C 4O 4) and its radical anion: A low-temperature anion photoelectron spectroscopic approach

Author keywords

[No Author keywords available]

Indexed keywords

ANION PHOTOELECTRON; BREATHING MODES; FRANCK-CONDON FACTORS; LOW LYING ELECTRONIC STATE; LOW TEMPERATURES; LOW-LYING EXCITED STATE; RADICAL ANIONS; TERM VALUE; THEORETICAL STUDY;

EID: 84863012196     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz201593z     Document Type: Article
Times cited : (31)

References (27)
  • 2
    • 68249147653 scopus 로고    scopus 로고
    • Reinvestigation of the Ordering of the Low-Lying Electronic States of Cyclobutanetetraone with CASPT2, CCSD(T), G3B3, ccCA, and CBS-QB3 Calculations
    • Zhou, X.; Hrovat, D. A.; Gleiter, R.; Borden, W. T. Reinvestigation of the Ordering of the Low-Lying Electronic States of Cyclobutanetetraone with CASPT2, CCSD(T), G3B3, ccCA, and CBS-QB3 Calculations Mol. Phys. 2009, 107, 863-870
    • (2009) Mol. Phys. , vol.107 , pp. 863-870
    • Zhou, X.1    Hrovat, D.A.2    Gleiter, R.3    Borden, W.T.4
  • 3
    • 0035928140 scopus 로고    scopus 로고
    • Stability of tetraoxocyclobutane revised: Perturbation theory and density functional scheme
    • DOI 10.1021/jp010738i
    • Jiao, H.; Frapper, G.; Halet, J.-F.; Saillard, J.-Y. Stability of Cyclobutanetetraone Revisited: Perturbation Theory and Density Functional Scheme J. Phys. Chem. A 2001, 105, 5945-5947 (Pubitemid 35378033)
    • (2001) Journal of Physical Chemistry A , vol.105 , Issue.24 , pp. 5945-5947
    • Jiao, H.1    Frapper, G.2    Halet, J.-F.3    Saillard, J.-Y.4
  • 4
    • 0001085255 scopus 로고
    • On the Stability of the Tetramers of Carbon Monoxide, Hydrogen Isocyanide, and Vinylidene. A Molecular Orbital Theoretical Rationalization
    • Gleiter, R.; Hyla-Kryspin, I.; Pfeifer, K.-H. On the Stability of the Tetramers of Carbon Monoxide, Hydrogen Isocyanide, and Vinylidene. A Molecular Orbital Theoretical Rationalization J. Org. Chem. 1995, 60, 5878-5883
    • (1995) J. Org. Chem. , vol.60 , pp. 5878-5883
    • Gleiter, R.1    Hyla-Kryspin, I.2    Pfeifer, K.-H.3
  • 7
    • 0001426896 scopus 로고
    • New Aromatic Anions. III. Molecular Orbital Calculations on Oxygenated Anions
    • West, R.; Powell, D. L. New Aromatic Anions. III. Molecular Orbital Calculations on Oxygenated Anions J. Am. Chem. Soc. 1963, 85, 2577-2579
    • (1963) J. Am. Chem. Soc. , vol.85 , pp. 2577-2579
    • West, R.1    Powell, D.L.2
  • 9
    • 0000035119 scopus 로고
    • Acetylene Diethers: A Logical Entry to Oxocarbons
    • Serratosa, F. Acetylene Diethers: A Logical Entry to Oxocarbons Acc. Chem. Res. 1983, 16, 170-176
    • (1983) Acc. Chem. Res. , vol.16 , pp. 170-176
    • Serratosa, F.1
  • 11
    • 0032812329 scopus 로고    scopus 로고
    • Negative Ion Photoelectron Spectroscopy Studies of Organic Reactive Intermediates
    • Wenthold, P. G.; Lineberger, W. C. Negative Ion Photoelectron Spectroscopy Studies of Organic Reactive Intermediates Acc. Chem. Res. 1999, 32, 597-604
    • (1999) Acc. Chem. Res. , vol.32 , pp. 597-604
    • Wenthold, P.G.1    Lineberger, W.C.2
  • 12
    • 0000502494 scopus 로고    scopus 로고
    • Photoelectron spectroscopy of the trimethylene-methane negative ion. The singlet-triplet splitting of trimethylenemethane
    • Wenthold, P. G.; Hu, J.; Squires, R. R.; Lineberger, W. C. Photoelectron Spectroscopy of the Trimethylenemethane Negative Ion. The Singlet-Triplet Splitting of Trimethylenemethane J. Am. Chem. Soc. 1996, 118, 475-476 (Pubitemid 126532494)
    • (1996) Journal of the American Chemical Society , vol.118 , Issue.2 , pp. 475-476
    • Wenthold, P.G.1    Hu, J.2    Squires, R.R.3    Lineberger, W.C.4
  • 14
    • 0030934890 scopus 로고    scopus 로고
    • Photoelectron Spectroscopy of m -Xylylene Anion
    • Wenthold, P. G.; Kim, J. B.; Lineberger, W. C. Photoelectron Spectroscopy of m -Xylylene Anion J. Am. Chem. Soc. 1997, 119, 1354-1359
    • (1997) J. Am. Chem. Soc. , vol.119 , pp. 1354-1359
    • Wenthold, P.G.1    Kim, J.B.2    Lineberger, W.C.3
  • 15
    • 0000121785 scopus 로고    scopus 로고
    • Transition-state spectroscopy of cyclooctatetraene
    • Wenthold, P. G.; Hrovat, D. A.; Borden, W. T.; Lineberger, W. C. Transition-State Spectroscopy of Cyclooctatetraene Science 1996, 272, 1456-1459 (Pubitemid 126528569)
    • (1996) Science , vol.272 , Issue.5267 , pp. 1456-1459
    • Wenthold, P.G.1    Hrovat, D.A.2    Borden, W.T.3    Lineberger, W.C.4
  • 17
    • 79954603870 scopus 로고    scopus 로고
    • On the Electronic Structures and Electronic Affinities of the m -Benzoquinone (BQ) Diradical and the o -, p -BQ Molecules: A Synergetic Photoelectron Spectroscopic and Theoretical Study
    • Fu, Q.; Yang, J.; Wang, X. B. On the Electronic Structures and Electronic Affinities of the m -Benzoquinone (BQ) Diradical and the o -, p -BQ Molecules: A Synergetic Photoelectron Spectroscopic and Theoretical Study J. Phys. Chem. A 2011, 115, 3201-3207
    • (2011) J. Phys. Chem. A , vol.115 , pp. 3201-3207
    • Fu, Q.1    Yang, J.2    Wang, X.B.3
  • 18
    • 77956133132 scopus 로고    scopus 로고
    • Electron Affinities and Electronic Structures of the o -, m -, and p -Hydroxyphenoxyl Radicals: A Combined Low-Temperature Photoelectron Spectroscopic and Ab Initio Calculation Study
    • Wang, X. B.; Fu, Q.; Yang, J. Electron Affinities and Electronic Structures of the o -, m -, and p -Hydroxyphenoxyl Radicals: A Combined Low-Temperature Photoelectron Spectroscopic and Ab Initio Calculation Study J. Phys. Chem. A 2010, 114, 9083-9089
    • (2010) J. Phys. Chem. A , vol.114 , pp. 9083-9089
    • Wang, X.B.1    Fu, Q.2    Yang, J.3
  • 19
    • 49149111001 scopus 로고    scopus 로고
    • Development of a Low-Temperature Photoelectron Spectroscopy Instrument Using an Electrospray Ion Source and a Cryogenically Controlled Ion Trap
    • Wang, X. B.; Wang, L. S. Development of a Low-Temperature Photoelectron Spectroscopy Instrument Using an Electrospray Ion Source and a Cryogenically Controlled Ion Trap Rev. Sci. Instrum. 2008, 79, 073108
    • (2008) Rev. Sci. Instrum. , vol.79 , pp. 073108
    • Wang, X.B.1    Wang, L.S.2
  • 21
    • 0000189651 scopus 로고
    • Density-Functional Thermochemistry. III. The Role of Exact Exchange
    • Becke, A. D. Density-Functional Thermochemistry. III. The Role of Exact Exchange J. Chem. Phys. 1993, 98, 5648-5652
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 22
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti Correlation Energy Formula into a Functional of the Electron Density
    • Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation Energy Formula into a Functional of the Electron Density Phys. Rev. B 1988, 37, 785-789
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 23
    • 4143095330 scopus 로고
    • Electron Affinities of the First-Row Atoms Revisited. Systematic Basis Sets and Wave Functions
    • Kendall, R. A.; Dunning, T. H.; Harrison, R. J. Electron Affinities of the First-Row Atoms Revisited. Systematic Basis Sets and Wave Functions J. Chem. Phys. 1992, 96, 6796-6806
    • (1992) J. Chem. Phys. , vol.96 , pp. 6796-6806
    • Kendall, R.A.1    Dunning, T.H.2    Harrison, R.J.3
  • 24
    • 0011682081 scopus 로고
    • Quadratic Configuration Interaction. A General Technique for Determining Electron Correlation Energies
    • Pople, J. A.; Head-Gordon, M.; Raghavachari, K. Quadratic Configuration Interaction. A General Technique for Determining Electron Correlation Energies J. Chem. Phys. 1987, 87, 5968-5975
    • (1987) J. Chem. Phys. , vol.87 , pp. 5968-5975
    • Pople, J.A.1    Head-Gordon, M.2    Raghavachari, K.3
  • 25
    • 36549094556 scopus 로고
    • Is Coupled Cluster Singles and Doubles (CCSD) more Computationally Intensive than Quadratic Configuration Interaction (QCISD)?
    • Scuseria, G. E.; Schaefer, H. F., III. Is Coupled Cluster Singles and Doubles (CCSD) more Computationally Intensive than Quadratic Configuration Interaction (QCISD)? J. Chem. Phys. 1989, 90, 3700-3703
    • (1989) J. Chem. Phys. , vol.90 , pp. 3700-3703
    • Scuseria, G.E.1    Schaefer Iii, H.F.2
  • 26
    • 36549098398 scopus 로고
    • An Efficient Reformulation of the Closed-Shell Coupled Cluster Single and Double Excitation (CCSD) Equations
    • Scuseria, G. E.; Janssen, C. L.; Schaefer, H. F., III. An Efficient Reformulation of the Closed-Shell Coupled Cluster Single and Double Excitation (CCSD) Equations J. Chem. Phys. 1988, 89, 7382-7387
    • (1988) J. Chem. Phys. , vol.89 , pp. 7382-7387
    • Scuseria, G.E.1    Janssen, C.L.2    Schaefer Iii, H.F.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.