Blue Shifting C− H··· O Hydrogen Bonded Complexes between Chloroform and Small Cyclic Ketones: Ring-Size Effects on Stability and Spectral Shifts
Amit K Samanta
The Journal of …, 2009
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Antagonistic Interplay Between an Intermolecular CH···O and an Intramolecular OH···O Hydrogen Bond in a 1:1 Complex Between 1,2- Cyclohexanedione and Chloroform: A Combined Matrix Isolation Infrared and Quantum Chemistry Study
Amit K Samanta
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Decoding the infrared spectra changes upon formation of molecular complexes: the case of halogen bonding in pyridine⋯perfluorohaloarene complexes
Heribert Reis
Physical Chemistry Chemical Physics
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Experimental Evidence for Blue-Shifted Hydrogen Bonding in the Fluoroform−Hydrogen Chloride Complex: A Matrix-Isolation Infrared and ab Initio Study
Gopi Ragupathy
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Ab Initio Study of the Structural, Energetic, Bonding, and IR Spectroscopic Properties of Complexes with Dihydrogen Bonds
Manuel Yañez, Otilia Mó
The Journal of Physical Chemistry A, 2002
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Study of the Nature of Improper Blue-Shifting Hydrogen Bonding and Standard Hydrogen Bonding in the X3CH⋅⋅⋅OH2 and XH⋅⋅⋅OH2 Complexes (X=F, Cl, Br, I): A Correlated Ab Initio Study
Pavel Hobza, Zdeněk Havlas, Danuta Michalska
ChemPhysChem, 2002
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Intermolecular vibrations of (CH2)2O–HF and –DF hydrogen bonded complexes investigated by Fourier transform infrared spectroscopy and ab initio calculations
Pierre Asselin
Physical Chemistry Chemical Physics, 2010
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Ab initio study of the infrared absorption bands and their intensities for ethylene-halogen and amine-halogen complexes
Suehiro Iwata
Chemical Physics, 1992
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Thermodynamics and Spectroscopy of Halogen- and Hydrogen-Bonded Complexes of Haloforms with Aromatic and Aliphatic Amines
Emmanuel Adeniyi
Molecules
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The blue shifts of the C-H and N-H bonds in the complexes of CHX3 (X = F, Cl, Br) and HNO: a theoretical study
Trung, Nguyen Tien
2014
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The study of hydrogen bonding and π⋯π interactions in phenol⋯ethynylbenzene complex by IR spectroscopy
Mario Vazdar, Danijela Vojta
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014
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An ab initio study of the C2H2HF, C2H(CH3)HF and C2(CH3)2HF hydrogen-bonded complexes
Washington Silva
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2006
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Theoretical Study of the CH···O Interaction in Fluoromethanes·H 2 O and Chloromethanes·H 2 O Complexes
Eugene Kryachko
The Journal of Physical Chemistry A, 2001
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Theoretical calculations of the substituent effect on molecular properties of the RCN⋯HF hydrogen-bonded complexes with R=NH2, CH3O, CH3, OH, SH, H, Cl, F, CF3, CN and NO2
Antonio Carvalho
Vibrational Spectroscopy, 2009
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Determination of mechanisms of the ν1(H–F) band shape formation in the absorption spectra of H-bonded complexes of HF from combined experimental studies and nonempirical calculations
Valentin Bulychev
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Interaction-induced contribution to changes in the infrared spectrum of hydrogen-bonded complexes
Halina Abramczyk
Chemical Physics, 1987
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Blue-shifted hydrogen-bonded complexes. II. CH3F⋯(HF)1⩽n⩽3 and CH2F2⋯(HF)1⩽n⩽3
Alfred Karpfen
Chemical Physics, 2005
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CH bonds with a Positive Dipole Gradient Can Form Blue-Shifting Hydrogen Bonds: The Complex of Halothane with Methyl Fluoride
Bart Michielsen
Chemphyschem, 2008
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Correlation of νOH Spectral Shifts of Phenol–Benzene O–H···π Hydrogen-Bonded Complexes with Donor’s Acidity: A Combined Matrix Isolation, Infrared Spectroscopy, and Quantum Chemistry Study
Pujarini Banerjee
The Journal of Physical Chemistry A, 2014
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CX⋅⋅⋅O Halogen Bonding: Interactions of Trifluoromethyl Halides with Dimethyl Ether
Roman Szostak
ChemPhysChem, 2009
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Blue-Shifted A−H Stretching Modes and Cooperative Hydrogen Bonding. 1. Complexes of Substituted Formaldehyde with Cyclic Hydrogen Fluoride and Water Clusters
Alfred Karpfen
The Journal of Physical Chemistry A, 2007
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A new computational tool for interpreting infrared spectra of molecular complexes
Heribert Reis
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Theoretical Evidence for a NH⊙⊙⊙ XC Blue-Shifting Hydrogen Bond: Complexes Pairing Monohalomethanes with HNO
Mohammad Solimannejad
The Journal of Physical Chemistry …, 2007
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HFI and DFT study of the bonding in complexes of halogen and interhalogen diatomics with Lewis base
Oleg Poleshchuk, Vicenç Branchadel
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2006
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H2O–CO and D2O–CO complexes: Intra- and intermolecular rovibrational states from full-dimensional and fully coupled quantum calculations
Peter Felker
The Journal of Chemical Physics
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Interaction of CHX3 (X = F, Cl, Br) with HNO induces remarkable blue shifts of both C–H and N–H bonds
nguyen văn Trung
Physical Chemistry Chemical Physics, 2009
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Novel model for calculating the intermolecular part of the infrared spectrum for molecular complexes
Engdahl Anders
Chemical Physics, 1995
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Effect of Noncovalent Interactions on Vibronic Transitions: An Experimental and Theoretical Study of the C2 H⋅⋅⋅CO2 Complex
Vladimir Feldman
ChemPhysChem, 2017
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Far infrared spectra, conformational equilibria, vibrational assignments and ab initio calculations of 2-chloroethanol
Todor Gounev
Journal of Molecular Structure, 1996
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Strongly Blue-Shifted C−H Stretches: Interaction of Formaldehyde with Hydrogen Fluoride Clusters
Eugene Kryachko
The Journal of Physical Chemistry A, 2005
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Theoretical calculations of the substituent effect on molecular properties of the RCNHF hydrogen-bonded complexes with Rá= áNH2, CH3O, CH3, OH, SH, H, Cl, F, …
Tarsila Castro
Vibrational …, 2009
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Vibrational Spectra and Structure of CH 3 Cl:(H 2 O) 2 and CH 3 Cl:(D 2 O) 2 Complexes. IR Matrix Isolation and ab Initio Calculations
Nadia Dozova, Nelly Lacome
The Journal of Physical Chemistry A, 2007
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