메뉴 건너뛰기




Volumn 2, Issue 13, 2011, Pages 1592-1600

Dimerization of radical-anions: Nitride clusterfullerenes versus empty fullerenes

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTERFULLERENES; DFT COMPUTATIONS; DIMERIC STRUCTURE; FULLERENES C; GASPHASE; IRREVERSIBLE REDUCTION; PYRROLIDINES; SCAN RATES; STABLE ISOMERS; VAN DER WAALS CORRECTION;

EID: 79960277619     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz200586v     Document Type: Article
Times cited : (21)

References (57)
  • 1
    • 34547842101 scopus 로고    scopus 로고
    • Metal nitride cluster fullerenes: Their current state and future prospects
    • DOI 10.1002/smll.200700036
    • Dunsch, L.; Yang, S. Metal Nitride Cluster Fullerenes: Their Current State and Future Prospects Small 2007, 3, 1298-1320 (Pubitemid 47245519)
    • (2007) Small , vol.3 , Issue.8 , pp. 1298-1320
    • Dunsch, L.1    Yang, S.2
  • 2
    • 70350026488 scopus 로고    scopus 로고
    • Chemical, Electrochemical, and Structural Properties of Endohedral Metallofullerenes
    • Chaur, M. N.; Melin, F.; Ortiz, A. L.; Echegoyen, L. Chemical, Electrochemical, and Structural Properties of Endohedral Metallofullerenes Angew. Chem., Int. Ed. 2009, 48, 7514-7538
    • (2009) Angew. Chem., Int. Ed. , vol.48 , pp. 7514-7538
    • Chaur, M.N.1    Melin, F.2    Ortiz, A.L.3    Echegoyen, L.4
  • 3
    • 79956192966 scopus 로고    scopus 로고
    • The Electronic Properties of Superatom States of Hollow Molecules
    • Feng, M.; Zhao, J.; Huang, T.; Zhu, X.; Petek, H. The Electronic Properties of Superatom States of Hollow Molecules Acc. Chem. Res. 2011, 44, 360-368
    • (2011) Acc. Chem. Res. , vol.44 , pp. 360-368
    • Feng, M.1    Zhao, J.2    Huang, T.3    Zhu, X.4    Petek, H.5
  • 13
    • 55049121383 scopus 로고    scopus 로고
    • Metallic Nitride Endohedral Fullerenes: Synthesis and Electrochemical Properties
    • Chaur, M. N.; Athans, A. J.; Echegoyen, L. Metallic Nitride Endohedral Fullerenes: Synthesis and Electrochemical Properties Tetrahedron 2008, 64, 11387-11393
    • (2008) Tetrahedron , vol.64 , pp. 11387-11393
    • Chaur, M.N.1    Athans, A.J.2    Echegoyen, L.3
  • 15
    • 53349171983 scopus 로고    scopus 로고
    • 68: An in Situ Spectroelectrochemical Study of the Radical Cation and Radical Anion of a Non-IPR Fullerene
    • 68: An in Situ Spectroelectrochemical Study of the Radical Cation and Radical Anion of a Non-IPR Fullerene J. Phys. Chem. A 2008, 112, 5858-5865
    • (2008) J. Phys. Chem. A , vol.112 , pp. 5858-5865
    • Rapta, P.1    Popov, A.A.2    Yang, S.F.3    Dunsch, L.4
  • 19
    • 67849097461 scopus 로고    scopus 로고
    • 80, and Spatial Spin Charge Separation as a General Principle for Anions of Endohedral Fullerenes with Metal-Localized Lowest Unoccupied Molecular Orbitals
    • 80, and Spatial Spin Charge Separation as a General Principle for Anions of Endohedral Fullerenes with Metal-Localized Lowest Unoccupied Molecular Orbitals J. Am. Chem. Soc. 2008, 130, 17726-17742
    • (2008) J. Am. Chem. Soc. , vol.130 , pp. 17726-17742
    • Popov, A.A.1    Dunsch, L.2
  • 37
    • 34247528241 scopus 로고    scopus 로고
    • 78 cage isomerism defined by trimetallic nitride cluster size: A computational and vibrational spectroscopic study
    • DOI 10.1021/jp068661r
    • 78 Cage Isomerism Defined by Trimetallic Nitride Cluster Size: A Computational and Vibrational Spectroscopic Study J. Phys. Chem. B 2007, 111, 3363-3369 (Pubitemid 46652686)
    • (2007) Journal of Physical Chemistry B , vol.111 , Issue.13 , pp. 3363-3369
    • Popov, A.A.1    Krause, M.2    Yang, S.3    Wong, J.4    Dunsch, L.5
  • 46
    • 4043164887 scopus 로고    scopus 로고
    • Accurate Description of Van der Waals Complexes by Density Functional Theory Including Empirical Corrections
    • Grimme, S. Accurate Description of Van Der Waals Complexes by Density Functional Theory Including Empirical Corrections J. Comput. Chem. 2004, 25, 1463-1473
    • (2004) J. Comput. Chem. , vol.25 , pp. 1463-1473
    • Grimme, S.1
  • 47
    • 33750559983 scopus 로고    scopus 로고
    • Semiempirical GGA-type density functional constructed with a long-range dispersion correction
    • DOI 10.1002/jcc.20495
    • Grimme, S. Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787-1799 (Pubitemid 44672561)
    • (2006) Journal of Computational Chemistry , vol.27 , Issue.15 , pp. 1787-1799
    • Grimme, S.1
  • 48
    • 68349094070 scopus 로고    scopus 로고
    • An Implementation of the Conductor-Like Screening Model of Solvation within the Amsterdam Density Functional Package - Part II. COSMO for Real Solvents
    • Pye, C. C.; Ziegler, T.; van Lenthe, E.; Louwen, J. N. An Implementation of the Conductor-Like Screening Model of Solvation within the Amsterdam Density Functional Package-Part II. COSMO for Real Solvents Can. J. Chem. 2009, 87, 790-797
    • (2009) Can. J. Chem. , vol.87 , pp. 790-797
    • Pye, C.C.1    Ziegler, T.2    Van Lenthe, E.3    Louwen, J.N.4
  • 50
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868 (Pubitemid 126631804)
    • (1996) Physical Review Letters , vol.77 , Issue.18 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 51
    • 25144474512 scopus 로고    scopus 로고
    • PRIRODA-04: A quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing
    • DOI 10.1007/s11172-005-0329-x
    • Laikov, D. N.; Ustynuk, Y. A. Priroda-04: A Quantum-Chemical Program Suite. New Possibilities in the Study of Molecular Systems with the Application of Parallel Computing Russ. Chem. Bull. 2005, 54, 820-826 (Pubitemid 41355692)
    • (2005) Russian Chemical Bulletin , vol.54 , Issue.3 , pp. 820-826
    • Laikov, D.N.1    Ustynyuk, Yu.A.2
  • 52
    • 0031578979 scopus 로고    scopus 로고
    • Fast evaluation of density functional exchange-correlation terms using the expansion of the electron density in auxiliary basis sets
    • PII S0009261497012062
    • Laikov, D. N. Fast Evaluation of Density Functional Exchange-Correlation Terms Using the Expansion of the Electron Density in Auxiliary Basis Sets Chem. Phys. Lett. 1997, 281, 151-156 (Pubitemid 127165002)
    • (1997) Chemical Physics Letters , vol.281 , Issue.1-3 , pp. 151-156
    • Laikov, D.N.1
  • 53
    • 33644541414 scopus 로고    scopus 로고
    • A New Class of Atomic Basis Functions for Accurate Electronic Structure Calculations of Molecules
    • Laikov, D. N. A New Class of Atomic Basis Functions for Accurate Electronic Structure Calculations of Molecules Chem. Phys. Lett. 2005, 416, 116-120
    • (2005) Chem. Phys. Lett. , vol.416 , pp. 116-120
    • Laikov, D.N.1
  • 55
    • 0037833475 scopus 로고    scopus 로고
    • Optimized Slater-Type Basis Sets for the Elements 1-118
    • Van Lenthe, E.; Baerends, E. J. Optimized Slater-Type Basis Sets for the Elements 1-118 J. Comput. Chem. 2003, 24, 1142-1156
    • (2003) J. Comput. Chem. , vol.24 , pp. 1142-1156
    • Van Lenthe, E.1    Baerends, E.J.2
  • 56
    • 79960231741 scopus 로고    scopus 로고
    • SCM, Theoretical Chemistry, Vrije Universiteit: Amsterdam, The Netherlands
    • ADF2010; SCM, Theoretical Chemistry, Vrije Universiteit: Amsterdam, The Netherlands, 2010. http://www.scm.com.
    • (2010) ADF2010
  • 57
    • 20644438873 scopus 로고    scopus 로고
    • Chemistry with ADF
    • DOI 10.1002/jcc.1056
    • te Velde, G.; Bickelhaupt, F. M.; Baerends, E. J.; Fonseca Guerra, C.; van Gisbergen, S. J. A.; Snijders, J. G.; Ziegler, T. Chemistry with ADF J. Comput. Chem. 2001, 22, 931-967 (Pubitemid 32455733)
    • (2001) Journal of Computational Chemistry , vol.22 , Issue.9 , pp. 931-967
    • Bickelhaupt, F.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.