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Volumn 13, Issue 19, 2011, Pages 8811-8825

Signatures of counter-ion association and hydrogen bonding in vibrational circular dichroism spectra

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EID: 79955546737     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c0cp02701d     Document Type: Article
Times cited : (28)

References (32)
  • 1
    • 0011644719 scopus 로고
    • Vibrational circular dichroism of the OH-stretching vibration in 2,2′-dihydroxy-l, l′-binaphthyl
    • Kimiko Nakao, Yoshimasa Kyogoku, Hiromu Sugeta, Vibrational circular dichroism of the OH-stretching vibration in 2,2′-dihydroxy-l, l′-binaphthyl Faraday Discuss., 1994, 99, 77-85
    • (1994) Faraday Discuss. , vol.99 , pp. 77-85
    • Nakao, K.1    Kyogoku, Y.2    Sugeta, H.3
  • 2
    • 0034225914 scopus 로고    scopus 로고
    • Conformational stability of (+)-epichlorohydrin
    • F. Wang, P. L. Polavarapu, Conformational stability of (+)-epichlorohydrin J. Phys. Chem. A, 2000, 104, 6189-6196
    • (2000) J. Phys. Chem. A , vol.104 , pp. 6189-6196
    • Wang, F.1    Polavarapu, P.L.2
  • 3
    • 0034766960 scopus 로고    scopus 로고
    • Vibrational circular dichroism of gramicidin D in vesicles and micelles
    • C. Zhao, P. L. Polavarapu, Vibrational circular dichroism of gramicidin D in vesicles and micelles Biopolymers, 2001, 62, 336-340
    • (2001) Biopolymers , vol.62 , pp. 336-340
    • Zhao, C.1    Polavarapu, P.L.2
  • 4
    • 4444279032 scopus 로고    scopus 로고
    • A study of the conformations of valinomycin in solution phase
    • F. Wang, C. Zhao, P. L. Polavarapu, A study of the conformations of valinomycin in solution phase Biopolymers, 2004, 75, 8593.
    • (2004) Biopolymers , vol.75 , pp. 8593
    • Wang, F.1    Zhao, C.2    Polavarapu, P.L.3
  • 5
    • 53649085863 scopus 로고    scopus 로고
    • Vibrational circular dichroism of amylose carbamate: Structure and solvent-induced conformational changes
    • S. Ma, S. Shen, H. Lee, N. Yee, C. Senanayake, L. A. Nafie, N. Grinberg, Vibrational circular dichroism of amylose carbamate: structure and solvent-induced conformational changes Tetrahedron: Asymmetry, 2008, 19, 2111-2114
    • (2008) Tetrahedron: Asymmetry , vol.19 , pp. 2111-2114
    • Ma, S.1    Shen, S.2    Lee, H.3    Yee, N.4    Senanayake, C.5    Nafie, L.A.6    Grinberg, N.7
  • 6
    • 77952969225 scopus 로고    scopus 로고
    • Bioinspired interactions studied by vibrational circular dichroism
    • M. Urbanova, Bioinspired interactions studied by vibrational circular dichroism Chirality, 2009, 21, E215-E230
    • (2009) Chirality , vol.21 , pp. E215-E230
    • Urbanova, M.1
  • 7
    • 33847056651 scopus 로고    scopus 로고
    • Spectroscopic Investigation of the Structures of Dialkyl Tartrates and Their Cyclodextrin Complexes
    • P. Zhang, P. L. Polavarapu, Spectroscopic Investigation of the Structures of Dialkyl Tartrates and Their Cyclodextrin Complexes J. Phys. Chem. A, 2007, 111, 858-871
    • (2007) J. Phys. Chem. A , vol.111 , pp. 858-871
    • Zhang, P.1    Polavarapu, P.L.2
  • 8
    • 84961980461 scopus 로고    scopus 로고
    • Chirality transfer through hydrogen-bonding: Experimental and ab initio analyses of vibrational circular dichroism spectra of methyl lactate in water
    • M. Losada, Y. Xu, Chirality transfer through hydrogen-bonding: Experimental and ab initio analyses of vibrational circular dichroism spectra of methyl lactate in water Phys. Chem. Chem. Phys., 2007, 9, 3127-3135
    • (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 3127-3135
    • Losada, M.1    Xu, Y.2
  • 9
    • 38049006919 scopus 로고    scopus 로고
    • Lactic acid in solution: Investigations of lactic acid self-aggregation and hydrogen bonding interactions with water and methanol using vibrational absorption and vibrational circular dichroism spectroscopies
    • M. Losada, H. Tran, Y. Xu, Lactic acid in solution: Investigations of lactic acid self-aggregation and hydrogen bonding interactions with water and methanol using vibrational absorption and vibrational circular dichroism spectroscopies J. Chem. Phys., 2008, 128, 014508.
    • (2008) J. Chem. Phys. , vol.128 , pp. 14508
    • Losada, M.1    Tran, H.2    Xu, Y.3
  • 10
    • 45149135283 scopus 로고    scopus 로고
    • Solvent effects on IR and VCD spectra of natural products: An experimental and theoretical VCD study of pulegone
    • E. Debie, P. Bultinck, W. Herreboutand, B. van der Veken, Solvent effects on IR and VCD spectra of natural products: an experimental and theoretical VCD study of pulegone Phys. Chem. Chem. Phys., 2008, 10, 3498-3508
    • (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 3498-3508
    • Debie, E.1    Bultinck, P.2    Herreboutand, W.3    Van Der Veken, B.4
  • 11
    • 84962439704 scopus 로고    scopus 로고
    • Vibrational absorption, vibrational circular dichroism, and theoretical studies of methyl lactate self-aggregation and methyl lactate-methanol intermolecular interactions
    • Y. Liu, G. Yang, M. Losada, Y. Xu, Vibrational absorption, vibrational circular dichroism, and theoretical studies of methyl lactate self-aggregation and methyl lactate-methanol intermolecular interactions J. Chem. Phys., 2010, 132, 234513.
    • (2010) J. Chem. Phys. , vol.132 , pp. 234513
    • Liu, Y.1    Yang, G.2    Losada, M.3    Xu, Y.4
  • 12
    • 0011224952 scopus 로고
    • Vibrational Circular Dichroism in Transition-Metal Complexes. 2. Ion Association, Ring Conformation, and Ring Currents of Ethylenediamine Ligands
    • D. A. Young, T. B. Freedman, E. D. Lipp, L. A. Nafie, Vibrational Circular Dichroism in Transition-Metal Complexes. 2. Ion Association, Ring Conformation, and Ring Currents of Ethylenediamine Ligands J. Am. Chem. Soc., 1986, 108, 7255-7263
    • (1986) J. Am. Chem. Soc. , vol.108 , pp. 7255-7263
    • Young, D.A.1    Freedman, T.B.2    Lipp, E.D.3    Nafie, L.A.4
  • 13
    • 0037061932 scopus 로고    scopus 로고
    • Density Functional Theory Calculations of Vibrational Circular Dichroism in Transition Metal Complexes: Identification of Solution Conformations and Mode of Chloride Ion Association for (+)-Tris(ethylenediaminato)cobalt(iii)
    • T. B. Freedman, X. Cao, D. A. Young, L. A. Nafie, Density Functional Theory Calculations of Vibrational Circular Dichroism in Transition Metal Complexes: Identification of Solution Conformations and Mode of Chloride Ion Association for (+)-Tris(ethylenediaminato)cobalt(iii) J. Phys. Chem. A, 2002, 106, 3560-3565
    • (2002) J. Phys. Chem. A , vol.106 , pp. 3560-3565
    • Freedman, T.B.1    Cao, X.2    Young, D.A.3    Nafie, L.A.4
  • 14
    • 77950196223 scopus 로고    scopus 로고
    • Robust normal modes in vibrational circular dichroism spectra
    • V. P. Nicu, E. J. Baerends, Robust normal modes in vibrational circular dichroism spectra Phys. Chem. Chem. Phys., 2009, 11, 6107-6118
    • (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 6107-6118
    • Nicu, V.P.1    Baerends, E.J.2
  • 15
    • 61449242849 scopus 로고    scopus 로고
    • Enhancement of IR and VCD intensities due to charge transfer
    • V. P. Nicu, J. Autschbach, E. J. Baerends, Enhancement of IR and VCD intensities due to charge transfer Phys. Chem. Chem. Phys., 2009, 11, 1526-1538
    • (2009) Phys. Chem. Chem. Phys. , vol.11 , pp. 1526-1538
    • Nicu, V.P.1    Autschbach, J.2    Baerends, E.J.3
  • 16
    • 0000074580 scopus 로고
    • Theory of Vibrational Circular Dichroism
    • P. J. Stephens, Theory of Vibrational Circular Dichroism J. Phys. Chem., 1985, 89, 748-752
    • (1985) J. Phys. Chem. , vol.89 , pp. 748-752
    • Stephens, P.J.1
  • 17
    • 0002400229 scopus 로고
    • Velocity-Dependent Property Surfaces and the Theory of Vibrational Circular Dichroism
    • A. D. Buckingham, P. W. Fowler, P. A. Galwas, Velocity-Dependent Property Surfaces and the Theory of Vibrational Circular Dichroism Chem. Phys., 1987, 112, 1-14
    • (1987) Chem. Phys. , vol.112 , pp. 1-14
    • Buckingham, A.D.1    Fowler, P.W.2    Galwas, P.A.3
  • 18
    • 0012918529 scopus 로고    scopus 로고
    • Theoretical Chemistry, Vrije Universiteit, Amsterdam. URL
    • Amsterdam Density Functional program. Theoretical Chemistry, Vrije Universiteit, Amsterdam. URL: http://www.scm.com
    • Amsterdam Density Functional program
  • 21
    • 37549012865 scopus 로고    scopus 로고
    • A vibrational circular dichroism implementation within a Slater-type-orbital based density functional framework and its application to hexa- and hepta-helicenes
    • V. P. Nicu, J. Neugebauer, S. K. Wolff, E. J. Baerends, A vibrational circular dichroism implementation within a Slater-type-orbital based density functional framework and its application to hexa- and hepta-helicenes Theor. Chem. Acc., 2008, 119, 1-3, 245-263
    • (2008) Theor. Chem. Acc. , vol.119 , Issue.1-3 , pp. 245-263
    • Nicu, V.P.1    Neugebauer, J.2    Wolff, S.K.3    Baerends, E.J.4
  • 22
    • 40549141415 scopus 로고    scopus 로고
    • QUILD: Quantum-regions Interconnected by Local Descriptions
    • M. Swart, F. Matthias Bickelhaupt, QUILD: Quantum-regions Interconnected by Local Descriptions J. Comput. Chem., 2007, 29, 5, 724-734
    • (2007) J. Comput. Chem. , vol.29 , Issue.5 , pp. 724-734
    • Swart, M.1    Matthias Bickelhaupt, F.2
  • 23
    • 36849113883 scopus 로고
    • Force Constants and Dipole Moment Derivatives of Molecules from Perturbed Hartree-Fock Calculations. I
    • J. Gerratt, I. Mills, Force Constants and Dipole Moment Derivatives of Molecules from Perturbed Hartree-Fock Calculations. I. J. Chem. Phys., 1968, 49, 1719-1729
    • (1968) J. Chem. Phys. , vol.49 , pp. 1719-1729
    • Gerratt, J.1    Mills, I.2
  • 25
    • 24944525447 scopus 로고    scopus 로고
    • Analytical Second Derivatives in the Amsterdam Density Functional Package
    • S. K. Wolff, Analytical Second Derivatives in the Amsterdam Density Functional Package Int. J. Quantum Chem., 2005, 104, 645-659
    • (2005) Int. J. Quantum Chem. , vol.104 , pp. 645-659
    • Wolff, S.K.1
  • 26
    • 49349099121 scopus 로고    scopus 로고
    • Effects of Complex Formation on Vibrational Circular Dichroism Spectra
    • V. P. Nicu, J. Neugebauer, E. J. Baerends, Effects of Complex Formation on Vibrational Circular Dichroism Spectra J. Phys. Chem. A, 2008, 112, 30, 6978-6991
    • (2008) J. Phys. Chem. A , vol.112 , Issue.30 , pp. 6978-6991
    • Nicu, V.P.1    Neugebauer, J.2    Baerends, E.J.3
  • 27
    • 33947463460 scopus 로고
    • The Stereochemistry of Complex Inorganic Compounds. XXII. Stereospecific Effects in Complex Ions
    • E. J. Corey, J. C. Bailar Jr., The Stereochemistry of Complex Inorganic Compounds. XXII. Stereospecific Effects in Complex Ions J. Am. Chem. Soc., 1956, 81, 2620-2629
    • (1956) J. Am. Chem. Soc. , vol.81 , pp. 2620-2629
    • Corey, E.J.1    Bailar, J.C.2
  • 29
    • 0031372043 scopus 로고    scopus 로고
    • Ab initio Prediction of Vibrational Absorbtion and Circular Dichroism Spectra of Chiral Natural Products Using Density Functional Theory: α-Pinene
    • F. J. Devlin, P. J. Stephens, J. R. Cheeseman, M. J. Frisch, Ab initio Prediction of Vibrational Absorbtion and Circular Dichroism Spectra of Chiral Natural Products Using Density Functional Theory: α-Pinene J. Phys. Chem. A, 1997, 101, 9912-9924
    • (1997) J. Phys. Chem. A , vol.101 , pp. 9912-9924
    • Devlin, F.J.1    Stephens, P.J.2    Cheeseman, J.R.3    Frisch, M.J.4
  • 30
    • 0038737960 scopus 로고    scopus 로고
    • Fundamental Vibrational Frequencies of Small Polyatomic Molecules from Density Functional Calculations and Vibrational Perturbation Theory
    • J. Neugebauer, B. A. Hess, Fundamental Vibrational Frequencies of Small Polyatomic Molecules from Density Functional Calculations and Vibrational Perturbation Theory J. Chem. Phys., 2003, 118, 7215-7225
    • (2003) J. Chem. Phys. , vol.118 , pp. 7215-7225
    • Neugebauer, J.1    Hess, B.A.2
  • 31
    • 0003722102 scopus 로고
    • W. H. Freeman and Company, San Francisco and London
    • G. C. Pimetel, and A. L. McClellan, The Hydrogen Bond, W. H. Freeman and Company, San Francisco and London, 1st edn, 1960
    • (1960) The Hydrogen Bond
    • Pimetel, G.C.1    McClellan, A.L.2
  • 32
    • 0003402431 scopus 로고
    • Mansel Davies, Elsevier Publishing Company, Amsterdam-London-New York
    • Infra-red spectroscopy and Molecular structure, ed. Mansel Davies, Elsevier Publishing Company, Amsterdam-London-New York, 1st edn, 1983
    • (1983) Infra-red spectroscopy and Molecular structure


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