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Ágúst Kvaran - Professor Emeritus

Ágúst Kvaran

–

School of Engineering and Natural Sciences

Ágúst Kvaran

Professor Emeritus

Professor

Location
Dunhagi 3 / Rau-236
Phone
525 - 4694
Email
agust [at] hi.is

Unit
Faculty of Physical Sciences
Website
https://notendur.hi.is/agust/
Published Work
Ágúst Kvaran - published work

Curriculum Vitae
Ágúst Kvaran - Curriculum Vitae
ORCID site
https://orcid.org/0000-0002-1742-6994
Research portal – Ágúst Kvaran

Published works

2023

Branching ratios in the dissociative photoionization of iodomethane by photoelectron photoion coincidencePhysical Chemistry Chemical Physics
Multiphoton breakdown of acetylene; formation of organic building block fragmentsPhysical Chemistry Chemical Physics

2022

Melatonin photoreactivity: phosphorescence formation and quenching processesChemical Papers
High energy state interactions, energetics and multiphoto-fragmentation processes of HIPhysical Chemistry Chemical Physics
Coincidence ion pair production (cipp) spectroscopy of diiodinePhysical Chemistry Chemical Physics

2021

Resolving the F2 bond energy discrepancy using coincidence ion pair production (cipp) spectroscopyPhysical Chemistry Chemical Physics
Coordination Properties of Non-Rigid Phosphinoyldithioformate Complexes of the [Mo2O2(µ-S)2]2+ Cation in Catalytic Sulfur Transfer Reactions with ThiiranesCatalysts
Coordination Properties of Non-Rigid Phosphinoyldithioformate Complexes of the [Mo2O2(µ-S)2]2+ Cation in Catalytic Sulfur Transfer Reactions with ThiiranesCatalysts

2020

Photo- and autoionization processes of superexcited iodine atoms in MPI of CH3I and HIChemical Physics
Formation of highly excited iodine atoms from multiphoton excitation of CH3IPhysical Chemistry Chemical Physics
Addition to and revision of the HI Rydberg states energy regionJournal of Molecular Spectroscopy

2019

Two-color studies of CH3Br excitation dynamics with MPI and slice imagingPhysical Chemistry Chemical Physics
High energy Rydberg and ion-pair states, state mixing and excitation dynamics of HIPhysical Chemistry Chemical Physics

2018

Cyanocyclohexane: axial-to-equatorial "seesaw" parity an gas and condensed phasesJournal of Molecular Structure
Multiphoton Rydberg and valence dynamics of CH3Br probed by mass spectrometry and slice imagingPhysical Chemistry Chemical Physics

2017

Non-rigid coordination behavior of the ambidentate phosphinoyldithioformate ligands, [S 2 CP(O)R 2 ] - , (R = Ph, CH 2 Ph) in organometallic Lead(IV) and Mercury(II) compoundsJournal of Organometallic Chemistry
Excitation dynamics involving homogeneous multistate interactions: one and two color VMI and REMPI of HBrPhysical Chemistry Chemical Physics
Conformational properties of 1-cyano-1-silacyclohexane, C5H10SiHCN: Gas electron diffraction, low-temperature NMR and quantum chemical calculationsJournal of Molecular Structure
High energy Rydberg and valence states and state interactions of DCl: New observations by mass resolved REMPIJournal of Molecular Spectroscopy
Excitation dynamics involving homogeneous multistate interactions: one and two color VMI and REMPI of HBrPhys. Chem. Chem. Phys.

2016

Corrigendum to “New REMPI observations and analyses for Rydberg and ion-pair states of HI” [J. Mol. Spectrosc. 290 (2013) 5–12]Journal of Molecular Spectroscopy
Dissociative Photoionization of 1-Halogenated Silacyclohexanes: Silicon Traps the HalogenThe Journal of Physical Chemistry A
Long term puzzles of the CH and CD energetics and related phenomena revisited; solutions sought through REMPI-photofragmentations of bromomethanesPhys. Chem. Chem. Phys.
Effect of a triplet to singlet state interaction on photofragmentation dynamics: highly excited states of HBr probed by VMI and REMPI as a case studyPhys. Chem. Chem. Phys.

2015

Rydberg and valence state excitation dynamics: a velocity map imaging study involving the E–V state interaction in HBrPhys. Chem. Chem. Phys.
Revealing photofragmentation dynamics through interactions between Rydberg states: REMPI of HI as a case studyPhys. Chem. Chem. Phys.
State interactions and illumination of hidden states through perturbations and observations of new states: High energy resonance enhanced multiphoton ionization of HIThe Journal of Chemical Physics

2014

Photofragmentation, state interaction, and energetics of Rydberg and ion-pair states: Resonance enhanced multiphoton ionization of HIThe Journal of Chemical Physics
Resonance-Enhanced Multiphoton Ionization of CH2Br2: Rydberg States, Photofragmentation, and CH SpectraThe Journal of Physical Chemistry A
Conformational properties of 1-tert-butyl-1-silacyclohexane, C5H10SiH(t-Bu): gas-phase electron diffraction, temperature-dependent Raman spectroscopy, and quantum chemical calculationsStructural Chemistry

2013

Conformational Properties of 1-Halogenated-1-Silacyclohexanes, C5H10SiHX (X = Cl, Br, I): Gas Electron Diffraction, Low-Temperature NMR, Temperature-Dependent Raman Spectroscopy, and Quantum-Chemical CalculationsOrganometallics
New REMPI observations and analyses for Rydberg and ion-pair states of HIJournal of Molecular Spectroscopy
Resonance enhanced multiphoton ionization spectra of HCl: analysis of F-1 Delta(2) spectral perturbationActa Physica Sinica
Conformational properties of 1-methyl-1-germacyclohexane: low-temperature NMR and quantum chemical calculationsStructural Chemistry
Photofragmentations, state interactions, and energetics of Rydberg and ion-pair states: Resonance enhanced multiphoton ionization via E and V (B) states of HCl and HBrThe Journal of Chemical Physics

2012

Rydberg and ion-pair states of HBr: New REMPI observations and analysisJournal of Molecular Spectroscopy
Photofragmentations, state interactions, and energetics of Rydberg and ion-pair states: Two-dimensional resonance enhanced multiphoton ionization of HBr via singlet-, triplet-, Ω = 0 and 2 statesThe Journal of Chemical Physics

2011

Two-dimensional resonance enhanced multiphoton ionization of HiCl; i = 35, 37: State interactions, photofragmentations and energetics of high energy Rydberg statesThe Journal of Chemical Physics
Two-dimensional REMPI of CF3Br: Rydberg states and photofragmentation channelsChemical Physics Letters
Thermochemistry of Halomethanes CFnBr4–n(n= 0–3) Based on iPEPICO Experiments and Quantum Chemical ComputationsThe Journal of Physical Chemistry A

2010

Conformational Properties of 1-Silyl-1-Silacyclohexane, C5H10SiHSiH3: Gas Electron Diffraction, Low-Temperature NMR, Temperature-Dependent Raman Spectroscopy, and Quantum Chemical CalculationsJournal of Physical Chemistry a
Two-Dimensional (2+n) REMPI of CH3Br: Photodissociation Channels via Rydberg StatesJournal of Physical Chemistry a
Conformational properties of 1-fluoro-1-methyl-silacyclohexane and 1-methyl-1-trifluoromethyl-1-silacyclohexane: Gas electron diffraction, low-temperature NMR, temperature-dependent Raman spectroscopy, and quantum chemical calculationsJournal of Molecular Structure

2009

Unexpected Conformational Properties of 1-Trifluormethyl-1-Silacyclohexane, C5H10SiHCF3: Gas Electron Diffraction, Low Temperature NMR, and Quantum Chemical CalculationsChemistry - A European Journal
Two-dimensional (2+n) resonance enhanced multiphoton ionization of HCl: State interactions and photorupture channels via low-energy triplet Rydberg statesThe Journal of Chemical Physics
Two-dimensional (2+n) REMPI of HCl: Observation and characterisation of a new Rydberg stateJournal of Molecular Spectroscopy

2008

(2+n) REMPI of acetylene: Gerade Rydberg states and photorupture channelsChemical Physics Letters
Two-dimensional (2+n) resonance enhanced multiphoton ionization of HCl: Photorupture channels via the FΔ21 Rydberg state and ab initio spectraThe Journal of Chemical Physics

2007

Conformational Properties of 1-Fluoro-1-silacyclohexane, C5H10SiHF: Gas Electron Diffraction, Low-Temperature NMR, Temperature-Dependent Raman Spectroscopy, and Quantum Chemical Calculations†Organometallics
Unexpected Conformational Properties of 1-Trifluoromethyl-1-Silacyclohexane, C5H10SiHCF3: Gas Electron Diffraction, Low-Temperature NMR Spectropic Studies, and Quantum Chemical CalculationsChemistry - A European Journal
REMPI spectra of the hydrogen halidesActa Physico-Chimica Sinica

2006

Relative Energy and Structural Differences of Axial and Equatorial 1-Fluoro-1-silacyclohexaneThe Journal of Physical Chemistry A
Comment on “Relative Energies, Stereoelectronic Interactions, and Conformational Interconversion in Silacycloalkanes”International Journal of Quantum Chemistry
REMPI-TOF studies of the HF dimerJournal of Molecular Structure
Structures and Energetics of Axial and Equatorial 1-Methyl-1-silacyclohexaneOrganometallics

2005

The rotational spectrum of silacyclohexaneJournal of Molecular Spectroscopy

2004

Three- and two-photon absorption in HCl and DCl: identification of Ω=3 states and state interaction analysisJournal of Molecular Spectroscopy

2002

Three-photon absorption spectroscopy: the L(1Φ3) and m(3II1) states of HCl and DClMolecular Physics
Conformations of Silicon-Containing Rings. 5.†,‡Conformational Properties of 1-Methyl-1-silacyclohexane: Gas Electron Diffraction, Low-Temperature NMR, and Quantum Chemical CalculationsThe Journal of Organic Chemistry

2001

Photochemical conversion of 2,6-dihalo substituted methyl α-phenylcinnamatesJournal of Photochemistry and Photobiology A: Chemistry
H-1 NMR and UV-vis spectroscopy of fluorine and chlorine substituted stilbenes: conformational studiesJournal of Molecular Structure
Three- and two-photon absorption spectroscopy: REMPI of HCl and HBrCanadian Journal of Physics
Photochemical conversion of 2,6-dihalo substituted methyl alpha-phenylcinnamatesJournal of Photochemistry and Photobiology a-Chemistry
Three-photon absorption spectroscopy: (3+1)REMPI of HCl (I-1 Delta(2)-X-1 Sigma(+))Journal of Molecular Structure

2000

What to see and what not to see in three-photon absorption: (3+1) REMPI of HBrThe Journal of Chemical Physics
Spectroscopy of flames: Luminescence spectra of reactive intermediatesJournal of Chemical Education
Spectroscopy of Flames: Luminescence Spectra of Reactive IntermediatesJournal of Chemical Education
Resonance enhanced multiphoton ionization of the hydrogen halides: Rotational structure and anomalies in Rydberg and ion-pair states of HCl and HBrThe Journal of Chemical Physics
H-1 NMR and UV-Vis spectroscopy of chlorine substituted stilbenes: Conformational studiesJournal of Molecular Structure

1998

(2+1) REMPI spectra of Ω=0 states of the hydrogen halides: Spectroscopy, perturbations and excitation mechanismsThe Journal of Chemical Physics
Photochemistry of substituted methyl-α-arylcinnamates: ortho- and para-substitutionJournal of Photochemistry and Photobiology A: Chemistry
Photochemistry of substituted methyl-alpha-arylcinnamates: ortho- and para-substitutionJournal of Photochemistry and Photobiology a-Chemistry
H-1 NMR investigation of Si-alkylsubstituted 1,3,5-trisilacyclohexanesZeitschrift Fur Anorganische Und Allgemeine Chemie
1H NMR Investigation of Si-alkylsubstituted 1,3,5-TrisilacyclohexanesZeitschrift für anorganische und allgemeine Chemie
Conformations of silicon-alkylsubstituted 1,3,5-trisilacyclohexanesAbstracts of Papers of the American Chemical Society

1996

Rotational perturbations in the (2 + 1) REMPI spectrum of the Rydberg stateChemical Physics
REMPI Spectra of Cl2: Vibrational and Rotational Analysis of the 21ΠgRydberg States of35Cl2,35Cl37Cl, and37Cl2Journal of Molecular Spectroscopy
On the origin of the dip in the KrF laser gain spectrumJournal of Chemical Physics

1995

REMPI Spectra of IBr: Vibrational and Rotational Analysis of the b[2.PI.1/2]c6s;1 Rydberg States of I79Br and I81BrThe Journal of Physical Chemistry

1994

REMPI spectra of I2. The [32]c5d; 1g Rydberg state and interactions with ion pair statesChemical Physics Letters

1993

Laser photoisomerization of methyl α-arylcinnamates; effect of chloro substitutionJournal of Photochemistry and Photobiology A: Chemistry
Rotationally resolved (2+1) REMPI spectra of gerade Rydberg state of molecular iodine: The (v′=0,v″=1) band of the Dalby systemJournal of Molecular Structure
Ion-pair (X+ + Y−) formation from photodissociation of the interhalogen molecules BrCl, ICl and IBrOrganic Mass Spectrometry
Ion‐pair formation in the photodissociation of HCl and DClThe Journal of Chemical Physics

1992

Analyses of the 290–400 nm oscillatory continua due to transitions from the E(O+) ion pair state of BrClMolecular Physics
Mechanism of the two-photon laser assisted reaction of Xe and Cl2 to form XeClJournal of Molecular Structure

1991

Vibrationally resolved excitation functions for direct ion-pair (I+ + I−) formation from photodissociation of I2Chemical Physics Letters

1990

Ion-pair (Br+ + Br−) formation from photodissociation of Br2 near the first ionisation limitChemical Physics Letters

1989

Spectroscopic characterization of the lowest singlet states of CdNe, CdAr, and CdKrThe Journal of Chemical Physics

1988

Vibrational relaxation of KrF* and XeCl* by rare gasesApplied Physics B Photophysics and Laser Chemistry
Spectroscopic characterization of the X(10+) and A(30+) states of CdNe, CdAr, CdKr, and CdXeThe Journal of Chemical Physics

1987

The dynamics of electronically excited states in the rare-gas–halogen systemsFaraday Discuss. Chem. Soc.
Chemiluminescent reactions of rare gas atoms, Rg(ns, 3P2, 3P1, 1P1) with N2O, SCO and SeCO: Spectroscopy and energy disposal in rare gas oxide, sulphide and selenide excimersChemical Physics Letters
ENERGY AND ANGULAR-MOMENTUM DISPOSAL IN CHEMILUMINESCENT REACTIONS OF XE (3PJ)Journal De Chimie Physique Et De Physico-Chimie Biologique
Energy and angular momentum disposal in chemiluminescent reactions of Xe (3PJ)Journal de Chimie Physique

1986

Reactions of Xe(3P2) and Xe(3P1) with HCl, HBr and HI; energy utilization, energy disposal, product rotational polarization and reaction dynamicsMolecular Physics
Competitive channels in the interaction of Xe(3 P J) with Cl2, Br2 and I2. Atom transfer, excitation transfer, energy disposal and product rotational alignmentJournal of the Chemical Society, Faraday Transactions 2

1984

Vibrational relaxation of xenon bromide (XeBr)(B) by argonThe Journal of Physical Chemistry

1983

Vibrational population distributions from rare gas halide spectraMolecular Physics

1982

BROMINE EMISSION-SPECTRA OF DISCHARGED MIXTURES OF ARGON + BROMINE-CONTAINING COMPOUNDSJournal of the Chemical Society-Faraday Transactions Ii
Analysis of the 350–400 nm oscillatory continuum from I2 (D 1Σ+u)Chemical Physics Letters

1980

Chemiluminescence of argon bromide. I. The emission spectrum of ArBrThe Journal of Chemical Physics
Chemiluminescence of argon bromide. II. Potential curves of ArBr and population distributions in the B (1/2) and C (3/2) electronic statesThe Journal of Chemical Physics

1978

EMISSION-SPECTRA OF NOBLE-GAS HALIDES - B(1/2)-A(1/2)SYSTEMChemical Physics Letters

Keywords for Specialisation:

Physical chemistry

Chemical Physics

Photoionization (PI

Multiphoton ionization (MPI

Resonance enhanced multiphoton ionization (REMPI

Chemiluminescence

Photoizomerization studies

Velocity map imaging

Photofragmentation studies

Phosphorescence