메뉴 건너뛰기




Volumn 135, Issue 13, 2011, Pages

OH⋯X (X = O, S) hydrogen bonding in thetrahydrofuran and tetrahydrothiophene

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS-IN-MOLECULES ANALYSIS; CARBON ATOMS; CYCLIC ETHER; DIETHYL ETHERS; DISPERSION ENERGIES; HYDROGEN BONDING INTERACTIONS; IR SPECTRUM; P-CRESOL; RED SHIFT; SOLVENT MOLECULES; STRETCHING FREQUENCY; SULFUR ANALOG; TETRAHYDROFURANS; TETRAHYDROTHIOPHENE; TETRAHYDROTHIOPHENE (THT); THIOETHERS; TWO PHOTON IONIZATION; TWO-COLOR;

EID: 80054715784     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3645107     Document Type: Article
Times cited : (38)

References (66)
  • 5
    • 33947291475 scopus 로고
    • 10.1021/ja00744a012
    • J. R. Sabin, J. Am. Chem. Soc. 93 (15), 3613 (1971); 10.1021/ja00744a012
    • (1971) J. Am. Chem. Soc. , vol.93 , Issue.15 , pp. 3613
    • Sabin, J.R.1
  • 17
    • 0032383472 scopus 로고    scopus 로고
    • Density functional calculations of the pseudorotational flexibility of tetrahydrofuran
    • DOI 10.1007/s002140050319, Theory, Computation, and Modeling
    • M. Strajbl and J. Florian, Theor. Chem. Acc. 99 (3), 166 (1998); 10.1007/s002140050319 (Pubitemid 128070522)
    • (1998) Theoretical Chemistry Accounts , vol.99 , Issue.3 , pp. 166-170
    • Strajbl, M.1    Florian, J.2
  • 22
    • 20844448452 scopus 로고    scopus 로고
    • Pseudorotation motion in tetrahydrofuran: An ab initio study
    • DOI 10.1063/1.1899123, 204303
    • V. M. Rayon and J. A. Sordo, J. Chem. Phys. 122 (20) (2005); 10.1063/1.1899123 (Pubitemid 40858476)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.20 , pp. 1-8
    • Rayon, V.M.1    Sordo, J.A.2
  • 24
    • 41549120622 scopus 로고    scopus 로고
    • Valence orbital response to pseudorotation of tetrahydrofuran: A snapshot using dual space analysis
    • DOI 10.1063/1.2838852
    • P. Duffy, J. A. Sordo, and F. Wang, J. Chem. Phys. 128 (12) (2008); 10.1063/1.2838852 (Pubitemid 351474131)
    • (2008) Journal of Chemical Physics , vol.128 , Issue.12 , pp. 125102
    • Duffy, P.1    Sordo, J.A.2    Wang, F.3
  • 27
    • 0001481607 scopus 로고    scopus 로고
    • 10.1016/S0009-2614(00)00153-6
    • P. K. Chowdhury, Chem. Phys. Lett. 319 (5-6), 501 (2000); 10.1016/S0009-2614(00)00153-6
    • (2000) Chem. Phys. Lett. , vol.319 , Issue.5-6 , pp. 501
    • Chowdhury, P.K.1
  • 29
    • 23844551801 scopus 로고    scopus 로고
    • Hydrogen-bond interaction in 1:1 complexes of tetrahydrofuran with water, hydrogen fluoride, and ammonia: A theoretical study
    • DOI 10.1063/1.1938189, 044308
    • P. K. Sahu and S. L. Lee, J. Chem. Phys. 123 (4) (2005); 10.1063/1.1938189 (Pubitemid 41164731)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.4 , pp. 181-189
    • Sahu, P.K.1    Lee, S.-L.2
  • 30
    • 29744444375 scopus 로고    scopus 로고
    • 10.1016/j.chemphys.2005.06.041
    • P. K. Chowdhury, Chem. Phys. 320 (2-3), 133 (2006). 10.1016/j.chemphys. 2005.06.041
    • (2006) Chem. Phys. , vol.320 , Issue.2-3 , pp. 133
    • Chowdhury, P.K.1
  • 31
    • 36849105441 scopus 로고
    • 10.1063/1.1672308
    • D. W. Wertz, J. Chem. Phys. 51 (5), 2133 (1969); 10.1063/1.1672308
    • (1969) J. Chem. Phys. , vol.51 , Issue.5 , pp. 2133
    • Wertz, D.W.1
  • 32
    • 0001519501 scopus 로고
    • 10.1016/0022-2852(83)90300-4
    • T. L. Smithson and H. Wieser, J. Mol. Spectrosc. 99 (1), 159 (1983); 10.1016/0022-2852(83)90300-4
    • (1983) J. Mol. Spectrosc. , vol.99 , Issue.1 , pp. 159
    • Smithson, T.L.1    Wieser, H.2
  • 33
    • 0034743723 scopus 로고    scopus 로고
    • 10.1016/S1386-1425(00)00482-0
    • T. M. El-Gogary, Spectrochim. Acta, Part A 57 (7), 1405 (2001); 10.1016/S1386-1425(00)00482-0
    • (2001) Spectrochim. Acta, Part A , vol.57 , Issue.7 , pp. 1405
    • El-Gogary, T.M.1
  • 39
    • 84890021933 scopus 로고
    • 10.1080/00268977000101561
    • S. F. Boys and F. Bernardi, Mol. Phys. 19 (4), 553 (1970). 10.1080/00268977000101561
    • (1970) Mol. Phys. , vol.19 , Issue.4 , pp. 553
    • Boys, S.F.1    Bernardi, F.2
  • 41
    • 0345401784 scopus 로고
    • 10.1021/cr00005a013
    • R. F. W. Bader, Chem. Rev. 91 (5), 893 (1991); 10.1021/cr00005a013
    • (1991) Chem. Rev. , vol.91 , Issue.5 , pp. 893
    • Bader, R.F.W.1
  • 42
    • 0012828820 scopus 로고    scopus 로고
    • Edited by, P. v. R. Schleyer, N. L. Allinger, T. Gasteiger, J. Clark, P. A. Kollman, H. F. S. Schaefer III, and, P. R. Schaefer III, (Wiley, Chichester, UK)
    • R. F. W. Bader, in Encyclopedia of Computational Chemistry Edited by, P. v. R. Schleyer, N. L. Allinger, T. Gasteiger, J. Clark, P. A. Kollman, H. F. S. Schaefer III, and, P. R. Schaefer III, (Wiley, Chichester, UK, 1998), Vol.1, pp. 64-86.
    • (1998) Encyclopedia of Computational Chemistry , vol.1 , pp. 64-86
    • Bader, R.F.W.1
  • 43
    • 12944322634 scopus 로고    scopus 로고
    • Blue-shifting C-H...Y intramolecular hydrogen bonds - DFT and AIM analyses
    • DOI 10.1016/j.chemphys.2004.09.008, PII S0301010404004902
    • S. Wojtulewski and S. J. Grabowski, Chem. Phys. 309 (2-3), 183 (2005). 10.1016/j.chemphys.2004.09.008 (Pubitemid 40175062)
    • (2005) Chemical Physics , vol.309 , Issue.2-3 , pp. 183-188
    • Wojtulewski, S.1    Grabowski, S.J.2
  • 44
    • 13844299423 scopus 로고    scopus 로고
    • Theoretical study of neutral and cationic complexes involving phenol
    • DOI 10.1002/qua.20346, Proceedings of the Tenth International Conference on the Applications of Density Functional Theory in Chemistry and Physics - Part II of II
    • F. Tran and T. A. Wesolowski, Int. J. Quantum Chem. 101 (6), 29 (2005). 10.1002/qua.20346 (Pubitemid 40253462)
    • (2005) International Journal of Quantum Chemistry , vol.101 , Issue.6 , pp. 854-859
    • Tran, F.1    Wesolowski, T.A.2
  • 45
    • 0000097150 scopus 로고    scopus 로고
    • edited by P. v. R. Schleyer, N. L. Allinger, T. Gasteiger, J. Clark, P. A. Kollman, H. F. S. Schaefer III, and P. R. Schaefer III (Wiley, Chichester, UK), (Cambridge University Press, New York, 2005)
    • F. Weinhold, in Encyclopedia of Computational Chemistry, edited by, P. v. R. Schleyer, N. L. Allinger, T. Gasteiger, J. Clark, P. A. Kollman, H. F. S. Schaefer III, and, P. R. Schaefer III, (Wiley, Chichester, UK, 1998), Vol.3, pp. 1792-1811; F. Weinhold and C. R. Landis, Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective (Cambridge University Press, New York, 2005).
    • (1998) Encyclopedia of Computational Chemistry, Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective , vol.3 , pp. 1792-1811
    • Weinhold, F.1    Weinhold, F.2    Landis, C.R.3
  • 48
    • 0038078830 scopus 로고    scopus 로고
    • State of the art and challenges of the ab initio theory of intermolecular interactions
    • DOI 10.1021/cr990048z
    • G. Chalasinski and M. M. Szczesniak, Chem. Rev. 100 (11), 4227 (2000). 10.1021/cr990048z (Pubitemid 32067768)
    • (2000) Chemical Reviews , vol.100 , Issue.11 , pp. 4227-4252
    • Chalasinski, G.1    Szczesniak, M.M.2
  • 50
    • 0030111044 scopus 로고    scopus 로고
    • Natural energy decomposition analysis: Explicit evaluation of electrostatic and polarization effects with application to aqueous clusters of alkali metal cations and neutrals
    • DOI 10.1021/ja951834y
    • E. D. Glendening, J. Am. Chem. Soc. 118 (10), 2473 (1996); 10.1021/ja951834y (Pubitemid 26120928)
    • (1996) Journal of the American Chemical Society , vol.118 , Issue.10 , pp. 2473-2482
    • Glendening, E.D.1
  • 53
    • 0037943839 scopus 로고
    • 10.1016/0009-2614(87)80143-4
    • W. J. Stevens and W. H. Fink, Chem. Phys. Lett. 139 (1), 15 (1987). 10.1016/0009-2614(87)80143-4
    • (1987) Chem. Phys. Lett. , vol.139 , Issue.1 , pp. 15
    • Stevens, W.J.1    Fink, W.H.2
  • 54
    • 27844483380 scopus 로고    scopus 로고
    • 10.1021/jp960694r
    • W. Chen and M. S. Gordon, J. Phys. Chem. 100 (34), 14316 (1996). 10.1021/jp960694r
    • (1996) J. Phys. Chem. , vol.100 , Issue.34 , pp. 14316
    • Chen, W.1    Gordon, M.S.2
  • 57
    • 0008362583 scopus 로고
    • 10.1021/j100207a007
    • H. Abe, N. Mikami, and M. Ito, J. Phys. Chem. 86 (10), 1768 (1982). 10.1021/j100207a007
    • (1982) J. Phys. Chem. , vol.86 , Issue.10 , pp. 1768
    • Abe, H.1    Mikami, N.2    Ito, M.3
  • 59
    • 80054686814 scopus 로고    scopus 로고
    • See supplementary material at E-JCPSA6-135-007138 for the MP2 optimized structures, AIM, and NBO analyses related data
    • See supplementary material at http://dx.doi.org/10.1063/1.3645107 E-JCPSA6-135-007138 for the MP2 optimized structures, AIM, and NBO analyses related data.
  • 60
    • 0004592759 scopus 로고
    • 10.1021/j100024a016
    • U. Koch and P. L. A. Popelier, J. Phys. Chem. 99 (24), 9747 (1995). 10.1021/j100024a016
    • (1995) J. Phys. Chem. , vol.99 , Issue.24 , pp. 9747
    • Koch, U.1    Popelier, P.L.A.2
  • 64
    • 0037136806 scopus 로고    scopus 로고
    • 2) clusters in the neutral and cationic ground states
    • DOI 10.1021/jp0208992
    • A. Fujii, T. Ebata, and N. Mikami, J. Phys. Chem. A 106 (37), 8554 (2002). 10.1021/jp0208992 (Pubitemid 35382417)
    • (2002) Journal of Physical Chemistry A , vol.106 , Issue.37 , pp. 8554-8560
    • Fujii, A.1    Ebata, T.2    Mikami, N.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.