Hydrogen-bonded complexes of acetylene and acetonitrile: A matrix isolation infrared and computational study (original) (raw)

Journal of Molecular Structure, 2002

Effect of matrix on IR frequencies of acetylene and acetylene-methanol complex: Infrared matrix isolation and ab initio study

Shridhar Gadre

The Journal of Chemical Physics, 2007

View PDFchevron_right

Intramolecular hydrogen bond, molecular structure and vibrational assignment of tetra-acetylethane

Alireza Nowroozi

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2006

View PDFchevron_right

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

View PDFchevron_right

H−π Complexes of Acetylene−Ethylene: A Matrix Isolation and Computational Study

Shridhar Gadre

The Journal of Physical Chemistry A, 2002

View PDFchevron_right

A theoretical study of 1:1 and 1:2 complexes of acetylene with nitrosyl hydride

Mohammad Solimannejad

View PDFchevron_right

Stepwise Association of Hydrogen Cyanide and Acetonitrile with the Benzene Radical Cation: Structures and Binding Energies of (C 6 H 6 •+ )(HCN) n , n = 1–6, and (C 6 H 6 •+ )(CH 3 CN) n , n = 1–4, Clusters

Samy El-Shall

The Journal of Physical Chemistry A, 2013

View PDFchevron_right

Acetonitrile-water hydroegn bonded interaction

Gopi Ragupathy

View PDFchevron_right

NMR studies and DFT calculations of the symmetric intramolecular NHN-hydrogen bond of bis-(2-pyridyl)-acetonitrile: Isotope labeling

Hans-heinrich Limbach

2007

View PDFchevron_right

Theoretical studies of hydrogen-bonded dimers. Complexes involving HF, H2O, NH3, CH1, H2S, PH3, HCN, HNC, HCP, CH2NH, H2CS, H2CO, CH4, CF3,H, C2H2, C2H4, C6H6, F- and H3O

John M McKelvey

Journal of The American Chemical Society, 1975

View PDFchevron_right

NQR study of hydrogen bonded trichloroacetic acid complexes

Oleg Poleshchuk

Bulletin of the Academy of Sciences of the USSR Division of Chemical Science, 1975

View PDFchevron_right

Hydrogen bonds formed by methyl groups of acetonitrile: Infrared and calorimetric study

Mikhail Borisover

Spectrochimica acta, 1994

View PDFchevron_right

The hydrogen bond in the acetylene-2(HF) complex: A theoretical study about intramolecular and unusual π⋯H interactions using DFT and AIM calculations

A. Carvalho

Journal of Molecular Structure: THEOCHEM, 2006

View PDFchevron_right

Small heterocyclics as hydrogen bond acceptors and donors: the case of the C2H3XS···NH3 complexes (X = H, F and CH3)

Antonio Carvalho

Structural Chemistry, 2009

View PDFchevron_right

Electronic Structure, Molecular Interaction, and Stability of the CH 4 − n H 2 O Complex, for n = 1−21

Ascención Romero-Martínez

Journal of Physical Chemistry A, 2008

View PDFchevron_right

An INDO-LMO and 13C NMR spectroscopic study of the C-H bonds in tetracyclo[3.2.0.02,7.04,6]heptane (quadricyclane) and tricyclo[3.1.0.02,4]hexane

P. Geerlings

Tetrahedron, 1975

View PDFchevron_right

Interaction of C3H3+ isomers with molecular nitrogen: IR spectra of C3H3+–(N2)n clusters (n=1–6)

Doris Roth

International Journal of Mass Spectrometry, 2002

View PDFchevron_right

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

View PDFchevron_right

The Hydrogen Bond In the Acetylene-2 (HF) Complex: A Theoretical Study About Intramolecular and Unusual [Pi] H Interactions Using DFT and AIM Calculations

Antonio Carvalho

Journal of Molecular …, 2006

View PDFchevron_right

CH⋅⋅⋅N Hydrogen-Bonding Interaction in 7-Azaindole:CHX 3 (X=F, Cl) Complexes

Sanjay Wategaonkar

ChemPhysChem, 2014

View PDFchevron_right

C–H⋯π interactions involving acetylene: an ab initio MO study

Jerzy Leszczynski

Journal of Molecular Structure, 2000

View PDFchevron_right

The Acetylene-Water Complex. A Matrix Isolation Study

Engdahl Anders

Chemical Physics Letters, 1983

View PDFchevron_right

Calculation of the intensities of the infrared spectra of acetonitrile complexes with Na+, Li+, and Mg+3 cations by the CNDO/2 method

Boris Minaev

Journal of Applied Spectroscopy, 1979

View PDFchevron_right

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

View PDFchevron_right

C—H...N and C—H...π interactions in 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile

Mukesh Jotani

Acta Crystallographica Section C Crystal Structure Communications, 2002

View PDFchevron_right

Interaction energies associated with short intermolecular contacts of C—H bonds. Structure and energetics of the interaction between CH4 and CN−

Juan Manuel Gomez Novoa

Chemical Physics Letters, 1991

View PDFchevron_right

Molecular structure, spectral studies, intra and intermolecular interactions analyses in a novel ethyl 4-[3-(2-chloro-phenyl)-acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer: A combined DFT and AIM approach

Vikas Yadav

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2012

View PDFchevron_right

Ab initio quantum chemical studies of the electronic properties of the hydrogen bonded N2HF, N2HCl, (HCN)2 and NH3HCN complexes

George Bacskay

Chemical Physics, 1987

View PDFchevron_right

Matrix isolation infrared and ab initio study of the 1:1 complex between ammonia and carbon monoxide

Erin Mysak

Journal of Molecular Structure, 1998

View PDFchevron_right

Conformational and isomerizational studies of 3-N,N-dimethylhydrazino-2-acetyl propenenitrile using X-ray analysis, NMR and vibrational spectra, and ab initio calculations

Pavel Matějka

Journal of Molecular Structure, 2009

View PDFchevron_right

Hydrogen-Bonding Interactions in Cinchonidine−2-Methyl-2-Hexenoic Acid Complexes: A Combined Spectroscopic and Theoretical Study

Alfons Baiker

The Journal of Physical Chemistry A, 2008

View PDFchevron_right

Remarkable effects of substitution on stability of complexes and origin of the C–H⋯O(N) hydrogen bonds formed between acetone's derivative and CO2, XCN (X = F, Cl, Br)

Trung, Nguyen Tien

RSC Adv., 2014

View PDFchevron_right

The linear and T-shaped isomers of C2H2HCN: Vibrational dynamics from infrared spectroscopy and ab initio theory

lee pedersen

Chemical Physics, 1989

View PDFchevron_right

Hydrogen-bonded complexes of acetylene and acetonitrile: A matrix isolation infrared and computational study (original) (raw)

Related papers