Ultraviolet photodissociation of gas-phase iron pentacarbonyl probed with ultrafast infrared spectroscopy

Cole-Filipiak, Neil C.; Troß, Jan; Schrader, Paul; McCaslin, Laura M.; Ramasesha, Krupa

doi:10.1063/5.0041074

Ultraviolet photodissociation of gas-phase iron pentacarbonyl probed with ultrafast infrared spectroscopy

Journal Article · Tue Apr 06 00:00:00 UTC 2021 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/5.0041074· OSTI ID:1781553

^[1]; ^[1]; ^[1]; ^[1]; ^[1]

Sandia National Lab. (SNL-CA), Livermore, CA (United States)

It is well known that ultraviolet photoexcitation of iron pentacarbonyl results in rapid loss of carbonyl ligands leading to the formation of coordinatively unsaturated iron carbonyl compounds. Here we employ ultrafast mid-infrared transient absorption spectroscopy to probe the photodissociation dynamics of gas-phase iron pentacarbonyl following ultraviolet excitation at 265 and 199 nm. After photoexcitation at 265 nm, our results show evidence for sequential dissociation of iron pentacarbonyl to form iron tricarbonyl via a short-lived iron tetracarbonyl intermediate. Photodissociation at 199 nm results in the prompt production of Fe(CO)₃ within 0.25 ps via several energetically accessible pathways. An additional 15 ps time constant extracted from the data is tentatively assigned to intersystem crossing to the triplet manifold of iron tricarbonyl or iron dicarbonyl. Mechanisms for formation of iron tetracarbonyl, iron tricarbonyl, and iron dicarbonyl are proposed and theoretically validated with one-dimensional cuts through the potential energy surface as well as bond dissociation energies. Ground state calculations are computed at the CCSD(T) level of theory and excited states are computed with EOM-EE-CCSD(dT).

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-CA), Livermore, CA (United States)

Sponsoring Organization:: USDOE; USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: AC04-94AL85000; NA0003525

OSTI ID:: 1781553

Alternate ID(s):: OSTI ID: 1774659

Report Number(s):: SAND--2021-3148J; 694829

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 13 Vol. 154; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (79)

Ultraviolet photodissociation of gas-phase iron pentacarbonyl probed with ultrafast infrared spectroscopy Cole-Filipiak, Neil; Tross, Jan; Schrader, Paul Zenodo https://doi.org/10.5281/zenodo.4320109	dataset	January 2021
Density functional study of small molecules and transition-metal carbonyls using revised PBE functionals Matveev, Alexei; Staufer, Markus; Mayer, Markus International Journal of Quantum Chemistry, Vol. 75, Issue 4-5 https://doi.org/10.1002/(sici)1097-461x(1999)75:4/5<863::aid-qua51>3.0.co;2-t	journal	January 1999
Ultrafast Electron Diffraction of Transient [Fe(CO)4]: Determination of Molecular Structure and Reaction Pathway Ihee, Hyotcherl; Cao, Jianming; Zewail, Ahmed H. Angewandte Chemie, Vol. 113, Issue 8 https://doi.org/10.1002/1521-3757(20010417)113:8<1580::aid-ange1580>3.0.co;2-2	journal	April 2001
The Structure of [Fe(CO)4]—An Important New Chapter in a Long-Running Story Poliakoff, Martyn; Turner, James J. Angewandte Chemie International Edition, Vol. 40, Issue 15 https://doi.org/10.1002/1521-3773(20010803)40:15<2809::aid-anie2809>3.0.co;2-u	journal	August 2001
One‐ and Two‐Photon‐Induced Photochemistry of Iron Pentacarbonyl [Fe(CO) ₅ ]: Insights from Coupled Cluster Response Theory Malcomson, Thomas; McKinlay, Russell G.; Paterson, Martin J. ChemPhotoChem, Vol. 3, Issue 9 https://doi.org/10.1002/cptc.201900111	journal	May 2019
DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds Harvey, Jeremy N. Principles and Applications of Density Functional Theory in Inorganic Chemistry I https://doi.org/10.1007/b97939	book	January 2004
Molden 2.0: quantum chemistry meets proteins Schaftenaar, Gijs; Vlieg, Elias; Vriend, Gert Journal of Computer-Aided Molecular Design, Vol. 31, Issue 9 https://doi.org/10.1007/s10822-017-0042-5	journal	July 2017
Population relaxation of CO(v = 1 ) vibrations in solution phase metal carbonyl complexes Heilweil, E. J.; Cavanagh, R. R.; Stephenson, J. C. Chemical Physics Letters, Vol. 134, Issue 2 https://doi.org/10.1016/0009-2614(87)87118-x	journal	February 1987
Non-iterative fifth-order triple and quadruple excitation energy corrections in correlated methods Bartlett, Rodney J.; Watts, J. D.; Kucharski, S. A. Chemical Physics Letters, Vol. 165, Issue 6 https://doi.org/10.1016/0009-2614(90)87031-l	journal	February 1990
Ultrafast transient infrared absorption studies of M(CO)6 (M  Cr, Mo or W) photoproducts in n-hexane solution Dougherty, T. P.; Heilweil, E. J. Chemical Physics Letters, Vol. 227, Issue 1-2 https://doi.org/10.1016/0009-2614(94)00812-4	journal	September 1994
Thermodynamics of transition metal carbonyls I. Fe(CO)5, Ru(CO)5, Os(CO)5 G. Behrens, Robert Journal of the Less Common Metals, Vol. 56, Issue 1 https://doi.org/10.1016/0022-5088(77)90218-1	journal	November 1977
Coherent effects in femtosecond infrared spectroscopy Hamm, P. Chemical Physics, Vol. 200, Issue 3 https://doi.org/10.1016/0301-0104(95)00262-6	journal	November 1995
Enlightening organometallic chemistry: the photochemistry of Fe(CO)5 and the reaction chemistry of unsaturated iron carbonyl fragments Leadbeater, Nicholas Coordination Chemistry Reviews, Vol. 188, Issue 1 https://doi.org/10.1016/S0010-8545(98)00217-3	journal	July 1999
Perturbed free induction decay in ultrafast mid-IR pump–probe spectroscopy Yan, Suxia; Seidel, Marco Thomas; Tan, Howe-Siang Chemical Physics Letters, Vol. 517, Issue 1-3 https://doi.org/10.1016/j.cplett.2011.10.013	journal	November 2011
The HITRAN2016 molecular spectroscopic database Gordon, I. E.; Rothman, L. S.; Hill, C. Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 203 https://doi.org/10.1016/j.jqsrt.2017.06.038	journal	December 2017
A fifth-order perturbation comparison of electron correlation theories Raghavachari, Krishnan; Trucks, Gary W.; Pople, John A. Chemical Physics Letters, Vol. 157, Issue 6 https://doi.org/10.1016/s0009-2614(89)87395-6	journal	May 1989
Femtosecond photodissociation dynamics of Fe(CO)5 in the gas phase Bañares, L.; Baumert, T.; Bergt, M. Chemical Physics Letters, Vol. 267, Issue 1-2 https://doi.org/10.1016/s0009-2614(97)00067-5	journal	March 1997
Ultrafast electron diffraction: structures in dissociation dynamics of Fe(CO)5 Ihee, H.; Cao, J.; Zewail, A. H. Chemical Physics Letters, Vol. 281, Issue 1-3 https://doi.org/10.1016/s0009-2614(97)01167-6	journal	December 1997
A CASSCF/MR-CCI study of the excited states of Fe(CO)5 Rubner, O.; Engel, V.; Hachey, M. R. Chemical Physics Letters, Vol. 302, Issue 5-6 https://doi.org/10.1016/s0009-2614(99)00149-9	journal	March 1999
Theoretical analysis of femtosecond excitation and fragmentation dynamics of Fe(CO)5 Rubner, O.; Baumert, T.; Bergt, M. Chemical Physics Letters, Vol. 316, Issue 5-6 https://doi.org/10.1016/s0009-2614(99)01352-4	journal	January 2000
Reorganisation Energies and Site Preferences of Carbonyl Ligands: Bond Energies of the Bridging and Terminal Carbonyl Groups of the Iron Carbonyls Fe2(CO)9 and Fe(CO)5 Housecroft, Catherine E.; Wade, Kenneth; Smith, Barry C. Journal of Organometallic Chemistry, Vol. 170, Issue 1 https://doi.org/10.1016/s0022-328x(00)83196-4	journal	April 1979
Benchmark Applications of Variations of Multireference Equation of Motion Coupled-Cluster Theory Huntington, Lee M. J.; Demel, Ondřej; Nooijen, Marcel Journal of Chemical Theory and Computation, Vol. 12, Issue 1 https://doi.org/10.1021/acs.jctc.5b00799	journal	December 2015
Ultra-Fast-VUV Photoemission Study of UV Excited 2-Nitrophenol Ciavardini, Alessandra; Coreno, Marcello; Callegari, Carlo The Journal of Physical Chemistry A, Vol. 123, Issue 7 https://doi.org/10.1021/acs.jpca.8b10136	journal	November 2018
Observation of Ultrafast Intersystem Crossing in Thymine by Extreme Ultraviolet Time-Resolved Photoelectron Spectroscopy Wolf, Thomas J. A.; Parrish, Robert M.; Myhre, Rolf H. The Journal of Physical Chemistry A, Vol. 123, Issue 32 https://doi.org/10.1021/acs.jpca.9b05573	journal	July 2019
Shedding light on organometallic reactions: the characterization of tetracarbonyliron (Fe(CO)4), a prototypical reaction intermediate Poliakoff, Martyn; Weitz, Eric Accounts of Chemical Research, Vol. 20, Issue 11 https://doi.org/10.1021/ar00143a004	journal	November 1987
Transient Infrared Spectroscopy as a Probe of Coordinatively Unsaturated Metal Carbonyls in the Gas Phase Weitz, Eric The Journal of Physical Chemistry, Vol. 98, Issue 44 https://doi.org/10.1021/j100095a005	journal	November 1994
Reaction kinetics of coordinatively unsaturated iron carbonyls formed on gas-phase excimer laser photolysis of iron pentacarbonyl Ryther, Robert J.; Weitz, Eric The Journal of Physical Chemistry, Vol. 95, Issue 24 https://doi.org/10.1021/j100177a043	journal	November 1991
Diode laser probes of the product distribution of coordinatively unsaturated iron carbonyls produced following excimer laser photolysis of iron pentacarbonyl in the gas phase Ryther, Robert J.; Weitz, Eric The Journal of Physical Chemistry, Vol. 96, Issue 6 https://doi.org/10.1021/j100185a031	journal	March 1992
Theoretical aspects of the photochemistry of organometallics. 3. Potential energy curves for the photodissociation of pentacarbonyliron (Fe(CO)5) Daniel, Chantal; Benard, Marc; Dedieu, Alain The Journal of Physical Chemistry, Vol. 88, Issue 21 https://doi.org/10.1021/j150665a004	journal	October 1984
Metal (iron and nickel) carbonyl bond strengths in Fe(CO)n- and Ni(CO)n- Sunderlin, L. S.; Wang, Dingneng; Squires, Robert R. Journal of the American Chemical Society, Vol. 114, Issue 8 https://doi.org/10.1021/ja00034a004	journal	April 1992
A photoelectron-photoion coincidence study of iron pentacarbonyl Norwood, K.; Ali, A.; Flesch, G. D. Journal of the American Chemical Society, Vol. 112, Issue 21 https://doi.org/10.1021/ja00177a008	journal	October 1990
Optical spectra of transition-metal carbonyls: chromium hexacarbonyl, iron pentacarbonyl, and nickel tetracarbonyl Kotzian, Manfred; Roesch, Notker; Schroeder, Hartmut Journal of the American Chemical Society, Vol. 111, Issue 20 https://doi.org/10.1021/ja00202a004	journal	September 1989
Triplet Organometallic Reactivity under Ambient Conditions: An Ultrafast UV Pump/IR Probe Study Snee, Preston T.; Payne, Christine K.; Kotz, Kenneth T. Journal of the American Chemical Society, Vol. 123, Issue 10 https://doi.org/10.1021/ja002350r	journal	March 2001
Organometallic bond dissociation energies: laser pyrolysis of iron pentacarbonyl, chromium hexacarbonyl, molybdenum hexacarbonyl, and tungsten hexacarbonyl Lewis, Karan E.; Golden, David M.; Smith, Gregory P. Journal of the American Chemical Society, Vol. 106, Issue 14 https://doi.org/10.1021/ja00326a004	journal	July 1984
Laser photoelectron spectrometry of the negative ions of iron and iron carbonyls. Electron affinity determination for the series Fe(CO)n, n = 0,1,2,3,4 Engelking, P. C.; Lineberger, W. C. Journal of the American Chemical Society, Vol. 101, Issue 19 https://doi.org/10.1021/ja00513a019	journal	September 1979
Dynamics of Photosubstitution Reactions of Fe(CO) ₅ : An Ultrafast Infrared Study of High Spin Reactivity Snee, Preston T.; Payne, Christine K.; Mebane, Sheryl D. Journal of the American Chemical Society, Vol. 123, Issue 28 https://doi.org/10.1021/ja010648r	journal	July 2001
Ultrafast Intersystem Crossing in Acetylacetone via Femtosecond X-ray Transient Absorption at the Carbon K-Edge Bhattacherjee, Aditi; Pemmaraju, Chaitanya Das; Schnorr, Kirsten Journal of the American Chemical Society, Vol. 139, Issue 46 https://doi.org/10.1021/jacs.7b07532	journal	November 2017
The Influence of the Metal Spin State in the Iron-Catalyzed Alkene Isomerization Reaction Studied with Ultrafast Infrared Spectroscopy ^† Glascoe, Elizabeth A.; Sawyer, Karma R.; Shanoski, Jennifer E. The Journal of Physical Chemistry C, Vol. 111, Issue 25 https://doi.org/10.1021/jp068576j	journal	June 2007
Environmental Photochemistry of Nitro-PAHs: Direct Observation of Ultrafast Intersystem Crossing in 1-Nitropyrene Crespo-Hernández, Carlos E.; Burdzinski, Gotard; Arce, Rafael The Journal of Physical Chemistry A, Vol. 112, Issue 28 https://doi.org/10.1021/jp803847q	journal	June 2008
Femtosecond Dynamics of Fe(CO) ₅ Photodissociation at 267 nm Studied by Transient Ionization Trushin, S. A.; Fuss, W.; Kompa, K. L. The Journal of Physical Chemistry A, Vol. 104, Issue 10 https://doi.org/10.1021/jp992474u	journal	March 2000
Comprehensive Study of the Thermochemistry of First-Row Transition Metal Compounds by Spin Component Scaled MP2 and MP3 Methods Hyla-Kryspin, Isabella; Grimme, Stefan Organometallics, Vol. 23, Issue 23 https://doi.org/10.1021/om049521b	journal	November 2004
Molden: a pre- and post-processing program for molecular and electronic structures* Schaftenaar, G.; Noordik, J. H. Journal of Computer-Aided Molecular Design, Vol. 14, Issue 2, p. 123-134 https://doi.org/10.1023/a:1008193805436	journal	February 2000
A theoretical study of [M(PH3)4] (M = Ru or Fe), models for the highly reactive d8 intermediates [M(dmpe)2] (dmpe = Me2PCH2CH2PMe2). Zero activation energies for addition of CO and oxidative addition of H2 ‡ Macgregor, Stuart A.; Eisenstein, Odile; Whittlesey, Michael K. Journal of the Chemical Society, Dalton Transactions, Issue 2 https://doi.org/10.1039/a706081e	journal	January 1998
Computational study of the energetics of ³ Fe(CO) ₄ , ¹ Fe(CO) ₄ and ¹ Fe(CO) ₄ (L), L = Xe, CH ₄ , H ₂ and CO Carreón-Macedo, José-Luis; Harvey, Jeremy N. Phys. Chem. Chem. Phys., Vol. 8, Issue 1 https://doi.org/10.1039/b513325d	journal	January 2006
II Fe(CO)4 Poliakoff, M. Chemical Society Reviews, Vol. 7, Issue 4 https://doi.org/10.1039/cs9780700527	journal	January 1978
Internal conversion and intersystem crossing dynamics of uracil upon double thionation: a time-resolved photoelectron spectroscopy study in the gas phase Mohamadzade, Abed; Ullrich, Susanne Physical Chemistry Chemical Physics, Vol. 22, Issue 27 https://doi.org/10.1039/d0cp02145h	journal	January 2020
Role of coherent nuclear motion in the ultrafast intersystem crossing of ruthenium complexes Kim, JunWoo; Kang, Dong-gu; Kim, Sang Kyu Physical Chemistry Chemical Physics, Vol. 22, Issue 44 https://doi.org/10.1039/d0cp05368f	journal	January 2020
On the photoelectron spectrum of p -benzoquinone Stanton, John F.; Sattelmeyer, Kurt W.; Gauss, Jürgen The Journal of Chemical Physics, Vol. 115, Issue 1 https://doi.org/10.1063/1.1381575	journal	July 2001
Multiple fragmentation dynamics after laser excitation: A simple theoretical approach Rubner, O.; Engel, V. The Journal of Chemical Physics, Vol. 115, Issue 7 https://doi.org/10.1063/1.1387040	journal	August 2001
Natural transition orbitals Martin, Richard L. The Journal of Chemical Physics, Vol. 118, Issue 11 https://doi.org/10.1063/1.1558471	journal	March 2003
Gaussian Basis Set for Molecular Wavefunctions Containing Third‐Row Atoms Wachters, A. J. H. The Journal of Chemical Physics, Vol. 52, Issue 3 https://doi.org/10.1063/1.1673095	journal	February 1970
Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc–Zn Balabanov, Nikolai B.; Peterson, Kirk A. The Journal of Chemical Physics, Vol. 123, Issue 6 https://doi.org/10.1063/1.1998907	journal	August 2005
Spin-conserving and spin-flipping equation-of-motion coupled-cluster method with triple excitations Slipchenko, Lyudmila V.; Krylov, Anna I. The Journal of Chemical Physics, Vol. 123, Issue 8 https://doi.org/10.1063/1.2006091	journal	August 2005
Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian Piecuch, Piotr; Włoch, Marta The Journal of Chemical Physics, Vol. 123, Issue 22 https://doi.org/10.1063/1.2137318	journal	December 2005
On the vibronic level structure in the NO3 radical. I. The ground electronic state Stanton, John F. The Journal of Chemical Physics, Vol. 126, Issue 13 https://doi.org/10.1063/1.2715547	journal	April 2007
Electronic structure of the benzene dimer cation Pieniazek, Piotr A.; Krylov, Anna I.; Bradforth, Stephen E. The Journal of Chemical Physics, Vol. 127, Issue 4 https://doi.org/10.1063/1.2749506	journal	July 2007
Perturbative triples correction for the equation-of-motion coupled-cluster wave functions with single and double substitutions for ionized states: Theory, implementation, and examples Manohar, Prashant U.; Stanton, John F.; Krylov, Anna I. The Journal of Chemical Physics, Vol. 131, Issue 11 https://doi.org/10.1063/1.3231133	journal	September 2009
Fragmentation and molecular dynamics in the laser photodissociation of iron pentacarbonyl Yardley, James T.; Gitlin, Barbara; Nathanson, Gilbert The Journal of Chemical Physics, Vol. 74, Issue 1 https://doi.org/10.1063/1.440843	journal	January 1981
The Jahn–Teller effect in the photoelectron spectrum of iron pentacarbonyl Hubbard, John L.; Lichtenberger, Dennis L. The Journal of Chemical Physics, Vol. 75, Issue 6 https://doi.org/10.1063/1.442407	journal	September 1981
Photodissociation dynamics of Fe(CO) ₅ : Excited state lifetimes and energy disposal Whetten, Robert L.; Fu, Ke‐Jian; Grant, Edward R. The Journal of Chemical Physics, Vol. 79, Issue 10 https://doi.org/10.1063/1.445582	journal	November 1983
On the photofragmentation of Fe(CO) ₅ . II. Molecular orbital studies of Fe(CO) _n , 1≥ n ≥5 Guenzburger, Diana; Baggio‐Saitovitch, Elisa; De Paoli, Marco A. The Journal of Chemical Physics, Vol. 80, Issue 2 https://doi.org/10.1063/1.446780	journal	January 1984
The wavelength dependence of excimer laser photolysis of Fe(CO) ₅ in the gas phase. Transient infrared spectroscopy and kinetics of the Fe(CO) _x ( x =4,3,2) photofragments Seder, T. A.; Ouderkirk, A. J.; Weitz, Eric The Journal of Chemical Physics, Vol. 85, Issue 4 https://doi.org/10.1063/1.451141	journal	August 1986
State‐resolved photofragmentation dynamics of Fe(CO) ₅ at 193, 248, 266, and 351 nm Waller, I. M.; Hepburn, J. W. The Journal of Chemical Physics, Vol. 88, Issue 10 https://doi.org/10.1063/1.454406	journal	May 1988
A crossed laser‐molecular beam study of the photodissociation dynamics of Fe(CO) ₅ at 193 nm Ray, Urmi; Brandow, Susan L.; Bandukwalla, Gulnar The Journal of Chemical Physics, Vol. 89, Issue 7 https://doi.org/10.1063/1.454845	journal	October 1988
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen Dunning, Thom H. The Journal of Chemical Physics, Vol. 90, Issue 2 https://doi.org/10.1063/1.456153	journal	January 1989
One‐ and two‐photon photodissociation of Fe(CO) ₅ at 248 nm. Application of an accurate method for calculating angle resolved velocity distributions for multiple sequential bond rupture processes Venkataraman, B. K.; Bandukwalla, G.; Zhang, Zhuangjian The Journal of Chemical Physics, Vol. 90, Issue 10 https://doi.org/10.1063/1.456404	journal	May 1989
An ab initio study of Fe(CO) _n , n =1,5, and Cr(CO) ₆ Barnes, Leslie A.; Rosi, Marzio; Bauschlicher, Charles W. The Journal of Chemical Physics, Vol. 94, Issue 3 https://doi.org/10.1063/1.459924	journal	February 1991
The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties Stanton, John F.; Bartlett, Rodney J. The Journal of Chemical Physics, Vol. 98, Issue 9 https://doi.org/10.1063/1.464746	journal	May 1993
Theoretical study of the vibrational spectra of the transition metal carbonyls M(CO) ₆ [M=Cr, Mo, W], M(CO) ₅ [M=Fe, Ru, Os], and M(CO) ₄ [M=Ni, Pd, Pt] Jonas, Volker; Thiel, Walter The Journal of Chemical Physics, Vol. 102, Issue 21 https://doi.org/10.1063/1.468839	journal	June 1995
The ultrafast photodissociation of Fe(CO)5 in the gas phase Bañares, L.; Baumert, T.; Bergt, M. The Journal of Chemical Physics, Vol. 108, Issue 14 https://doi.org/10.1063/1.475991	journal	April 1998
Identification of the dominant photochemical pathways and mechanistic insights to the ultrafast ligand exchange of Fe(CO)5 to Fe(CO)4EtOH Kunnus, K.; Josefsson, I.; Rajkovic, I. Structural Dynamics, Vol. 3, Issue 4 https://doi.org/10.1063/1.4941602	journal	February 2016
Communication: Direct evidence for sequential dissociation of gas-phase Fe(CO)5 via a singlet pathway upon excitation at 266 nm Wernet, Ph.; Leitner, T.; Josefsson, I. The Journal of Chemical Physics, Vol. 146, Issue 21 https://doi.org/10.1063/1.4984774	journal	June 2017
Time-resolved electron spectroscopy for chemical analysis of photodissociation: Photoelectron spectra of Fe(CO) ₅ , Fe(CO) ₄ , and Fe(CO) ₃ Leitner, T.; Josefsson, I.; Mazza, T. The Journal of Chemical Physics, Vol. 149, Issue 4 https://doi.org/10.1063/1.5035149	journal	July 2018
Coupled-cluster techniques for computational chemistry: The CFOUR program package Matthews, Devin A.; Cheng, Lan; Harding, Michael E. The Journal of Chemical Physics, Vol. 152, Issue 21 https://doi.org/10.1063/5.0004837	journal	June 2020
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Shao, Yihan; Gan, Zhengting; Epifanovsky, Evgeny Molecular Physics, Vol. 113, Issue 2 https://doi.org/10.1080/00268976.2014.952696	journal	September 2014
A filtering procedure for systematic removal of pump-perturbed polarization artifacts Polack, Thomas Optics Express, Vol. 14, Issue 12 https://doi.org/10.1364/oe.14.005823	journal	January 2006
Suppression of perturbed free-induction decay and noise in experimental ultrafast pump-probe data Nuernberger, Patrick; Lee, Kevin F.; Bonvalet, Adeline Optics Letters, Vol. 34, Issue 20 https://doi.org/10.1364/ol.34.003226	journal	January 2009
Waveguide-enhanced 2D-IR spectroscopy in the gas phase Greetham, Gregory M.; Clark, Ian P.; Weidmann, Damien Optics Letters, Vol. 38, Issue 18 https://doi.org/10.1364/ol.38.003596	journal	January 2013
Ultraviolet photodissociation of gas-phase iron pentacarbonyl probed with ultrafast infrared spectroscopy Cole-Filipiak, Neil; Tross, Jan; Schrader, Paul Zenodo https://doi.org/10.5281/zenodo.4320108	dataset	January 2021

Similar Records

Ultrafast infrared transient absorption spectroscopy of gas-phase Ni(CO)₄ photodissociation at 261 nm

Journal Article · Mon Apr 11 00:00:00 UTC 2022 · Journal of Chemical Physics · OSTI ID:1870456

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
dissociation energy
gas phase
photocatalysis
photodissociation
potential energy surfaces
transition metals
ultrafast laser spectroscopy
ultrafast vibrational spectroscopy
ultraviolet light

Ultraviolet photodissociation of gas-phase iron pentacarbonyl probed with ultrafast infrared spectroscopy

Citation Formats

References (79)

Similar Records

Related Subjects