David A Hrovat
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Explore the profile of David A Hrovat including associated specialties, affiliations and a list of published articles.
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72
Citations
350
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Recent Articles
1.
Rahaman A, Lisensky G, Browder-Long J, Hrovat D, Richmond M, Nordlander E, et al.
Dalton Trans
. 2020 May;
49(21):7133-7143.
PMID: 32406893
Reaction of [Fe3(CO)9(μ3-Te)2] (1) with the corresponding phosphine has been used to prepare the phosphine-substituted tellurium-capped triiron clusters [Fe3(CO)9(μ3-Te)2(PPh3)] (2), [Fe3(CO)8(μ3-Te)2(PPh3)] (3) and [Fe3(CO)7(μ3-Te)2(μ-R2PXPR2)] (X = CH2, R = Ph...
2.
Yang Z, Hrovat D, Hou G, Borden W, Wang X
J Phys Chem A
. 2019 Mar;
123(14):3142-3148.
PMID: 30869889
Negative ion photoelectron (NIPE) spectra, with 193, 266, 300, and 355 nm photons, of the radical anion of 1,8-naphthoquinone (1,8-NQ) have been obtained at 20 K. The electron affinity of...
3.
Ghosh S, Hollingsworth N, Warren M, Hrovat D, Richmond M, Hogarth G
Dalton Trans
. 2019 Feb;
48(18):6051-6060.
PMID: 30734798
[FeFe]-hydrogenases contain strongly electronically coupled diiron [2Fe]H and tetrairon [Fe4-S4]H clusters, and thus much recent effort has focused on the chemistry of diiron-dithiolate biomimics with appended redox-active ligands. Here we...
4.
Hrovat D, Wang X, Borden W
J Comput Chem
. 2018 Oct;
40(1):119-126.
PMID: 30284300
(12/12)CASPT2, (16/14)CASPT2, B3LYP, and CCSD(T) calculations have been carried out on 1,8-Naphthoquinone (1,8-NQ), to predict the low-lying electronic states and their relative energies in this non-Kekulé quinone diradical. CASPT2 predicts...
5.
Hou G, Chen B, Transue W, Hrovat D, Cummins C, Borden W, et al.
Chem Sci
. 2018 Aug;
7(7):4667-4675.
PMID: 30155115
We report here a negative ion photoelectron spectroscopy (NIPES) and study of the recently synthesized planar aromatic inorganic ion PN, to investigate the electronic structures of PN and its neutral...
6.
Mukherjee A, Hrovat D, Richmond M, Bhattacharya S
Dalton Trans
. 2018 Jul;
47(30):10264-10272.
PMID: 30015819
Reaction of 1,2-bis(diphenylphosphino)benzene (dppbz) with [{Ru(CO)2Cl2}n] affords [Ru(dppbz)(CO)2Cl2], where the two carbonyls are mutually cis and the two chlorides are trans. The molecular structure of [Ru(dppbz)(CO)2Cl2], has been determined by...
7.
Hrovat D, Hou G, Chen B, Wang X, Borden W
Chem Sci
. 2018 Jun;
7(2):1142-1150.
PMID: 29910870
The CO radical anion (CO˙) has been formed by electrospraying carbonate dianion (CO) into the gas phase. The negative ion photoelectron (NIPE) spectrum of CO˙ shows that, unlike the isoelectronic...
8.
Yang Z, Hrovat D, Hou G, Borden W, Wang X
J Phys Chem A
. 2018 May;
122(21):4838-4844.
PMID: 29745661
Cryogenic negative ion photoelectron (NIPE) spectra of the radical anion of 2,7-naphthoquinone (NQ) have been taken at 20 K, using 193, 240, 266, 300, and 355 nm lasers for electron...
9.
Wenk H, Balster A, Sander W, Hrovat D, Borden W
Angew Chem Int Ed Engl
. 2018 May;
40(12):2295-2298.
PMID: 29711814
As the first isolated derivative of 1,4-didehydrobenzene, 1,4-didehydro-2,3,5,6-tetrafluorobenzene (1) was generated from 1,4-diiodotetrafluorobenzene (2) by photolysis at 254 nm in a neon matrix at 3 K. The 4-iodo-2,3,5,6-tetrafluorophenyl radical 3...
10.
Hou G, Chen B, Transue W, Hrovat D, Cummins C, Borden W, et al.
J Phys Chem A
. 2016 Jul;
120(31):6228-35.
PMID: 27434547
We report here the results of a combined experimental and computational study of the negative ion photoelectron spectroscopy (NIPES) of the recently synthesized, planar, aromatic, HCPN3(-) ion. The adiabatic electron...