Molecule-like and lattice vibrations in metal clusters

Autor: Krishnadas Kumaranchira Ramankutty, Huayan Yang, Ani Baghdasaryan, Jeremie Teyssier, Valentin Paul Nicu, Thomas Buergi

Publikováno v: Physical Chemistry Chemical Physics. 24:13848-13859

We report distinct molecule-like and lattice (breathing) vibrational signatures of atomically precise, ligand-protected metal clusters using low-temperature Raman spectroscopy. Our measurements provide fingerprint Raman spectra of a series of noble m

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc974f5e5b631ff8c64d1da5a47dca15
https://doi.org/10.1039/d1cp04708f

Enantiospecific Brook Rearrangement of Tertiary Benzylic α-Hydroxysilanes

Autor: Valentin Paul Nicu, Wybren Jan Buma, Juana M. Pérez, Yiyin Xia, Syuzanna R. Harutyunyan, Mark A. J. Koenis, Juan F. Collados, Pablo Ortiz

Publikováno v: European Journal of Organic Chemistry. 2018:3900-3903

The Brook rearrangement of simple, chiral tertiary benzylic -hydroxysilanes is presented. The rearrangement followed by proton trapping is enantiospecific and proceeds with inversion of the configuration at the carbon center. Importantly, the [1,2]-B

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f2399e2f472b75d3ce66906cceda3903
https://doi.org/10.1002/ejoc.201701469

The Importance of Large-Amplitude Motions for the Interpretation of Mid-Infrared Vibrational Absorption and Circular Dichroism Spectra: 6,6′-Dibromo-[1,1′-binaphthalene]-2,2′-diol in Dimethyl Sulfoxide

Autor: Mojgan Heshmat, Evert Jan Baerends, Prasad L. Polavarapu, Valentin Paul Nicu

Publikováno v: Journal of Physical Chemistry A, 4766-4777. American Chemical Society
ISSUE=118;STARTPAGE=4766;ENDPAGE=4777;ISSN=1089-5639;TITLE=Journal of Physical Chemistry A
Heshmat, M, Baerends, E J, Polaravapu, P L & Nicu, V P 2014, ' The importance of large amplitude motions for the interpretation of mid-infrared vibrational absorption and circular dichroism spectra: 6,6'-dibromo-[1,1'-binaphthalene]-2,2'-diol in dimethyl sulfoxide ', Journal of Physical Chemistry A, no. 118, pp. 4766-4777 . https://doi.org/10.1021/jp4114738

Using the 6,6-dibromo-[1,1-binaphthalene]-2,2-diol molecule and its vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra measured in deuterated dimethyl sulfoxide as example, we present a first detailed study of the effects in

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e85db706956a79a02d1f9ad61937245f
https://doi.org/10.1021/jp4114738

On the Complementarity of ECD and VCD Techniques

Autor: Prasad L. Polavarapu, Valentin Paul Nicu, Tibor Kurtán, Attila Mándi

Publikováno v: Chirality. 26:525-531

An unprecedented complementarity of electronic circular dichroism (ECD) and vibrational circular dichroism (VCD) spectroscopic techniques is demonstrated by showing that each technique reveals the structure of a different molecular segment. Using a f

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0102d225d7dd704c4f8142d0c707e964
https://doi.org/10.1002/chir.22330

Revisiting an old concept: the coupled oscillator model for VCD. Part 1: the generalised coupled oscillator mechanism and its intrinsic connection to the strength of VCD signals

Autor: Valentin Paul Nicu

Publikováno v: Physical chemistry chemical physics : PCCP. 18(31)

Motivated by the renewed interest in the coupled oscillator (CO) model for VCD, in this work a generalised coupled oscillator (GCO) expression is derived by introducing the concept of a coupled oscillator origin. Unlike the standard CO expression, th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2e670093904a1fc7b48f31a8411585a9
https://pubmed.ncbi.nlm.nih.gov/27374930