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Goar Sanchez

Postdoc Level Ii

School of Chemistry
S 3.12

Tel:
Email: goar.sanchez@ucd.ie

Biography

Dr. Goar Sánchez is Human Frontier Science Program Postdoctoral Fellow at the University College of Dublin.  He obtained his PhD from the Universidad Autonoma de Madrid in 2010, under the supervision of Dr. Zoila Barandiaran in the study of ionic solids doped with divalent lanthanides. In 2011, he joined Prof. Ibon Alkorta's group as postdoctoral researcher at the Instituto de Quimica Medica (CSIC). In 2012, he was postdoctoral IOCB fellow at Institute of Organic Chemistry and Biochemistry (Academy of Sciences) in Prague, Czech Republic, with Dr. Lubomir Rulisek.  His general research interests are in the areas of theoretical and computational chemistry, biophysics and chemical physics. 

Professional

Honours and Awards

Year: 2013.
Title: Human Frontier Science Program Cross Disciplinary Postdoctoral Fellowship
Year: 2012.
Title: IOCB AV Postdoctoral Fellowship
Year: 2006.
Title: Program for Formation of Researchers Fellowship (PhD)
           

Employment

Employer: University College Dublin
Position: Postdoctoral Researcher
Employer: Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences
Position: Postdoctoral Researcher
Employer: Institute of Medical Chemistry, Spanish National Research Council
Position: Postdoctoral Researcher
Employer: University Autonomous of Madrid
Position: PhD researcher

Education

Year 2010 Institution: University Autonomous of Madrid
Qualification: PhD Subject: European PhD in Theorectical and Computational Chemistry
Year 2006 Institution: University Autonomous of Madrid
Qualification: DEA -MSC Subject: MSc in Theoretical and Computational Chemistry
Year 2004 Institution: University Autonomous of Madrid
Qualification: BSc Subject: Bachelor in Chemistry

Languages

Chinese:
English:
Spanish:
       

Publications

     

Peer Reviewed Journals

G. Sánchez-Sanz (2015) 'Aromatic behaviour of benzene and naphthalene upon pnictogen substitution'. Tetrahedron, 71 :826-839. [DOI] [Details]
C. Trujillo, G. Sánchez-Sanz, I. Alkorta, J. Elguero (2015) 'Computational study of proton transfer in 3(5)-hydroxypyrazole tautomers assisted by water'. ChemPhysChem, 16 :2140-2150. [DOI] [Details]
G. Sánchez-Sanz, C. Trujillo, I. Rozas, I. Alkorta (2015) 'Influence of fluoro and cyano substituents in the aromatic and antiaromatic characteristics of cyclooctatetraene'. Physical Chemistry Chemical Physics, 17 :14961-14971. [DOI] [Details]
C. Trujillo, G. Sánchez-Sanz, I. Alkorta, J. Elguero (2015) 'Halogen, Chalcogen and Pnictogen Interactions in (XNO2)2 Homodimers (X = F, Cl, Br, I)'. New Journal of Chemistry, 39 :6791-6802. [DOI] [Details]
G. Sánchez-Sanz, C. Trujillo, I. Alkorta, J. Elguero (2015) 'Theoretical study of cyanophosphines: Pnicogen vs. dipole-dipole interactions'. Theoretical and Computational Chemistry, 1035 :305-314. [DOI] [Details]
R. Aggarwal, V. Kumar, G. Singh, D. Sanz, R. M. Claramunt, I. Alkorta, G. Sánchez-Sanz, J. Elguero (2015) 'An NMR and Computational Study of Azolo[a]pyrimidines with Special Emphasis on Pyrazolo[1,5-a]pyrimidines'. Journal of Heterocyclic Chemistry, 52 :336-345. [DOI] [Details]
I. Alkorta, G. Sánchez-Sanz, J. Elguero J.E. Del Bene (2014) 'Pnicogen Bonds between X=PH3 (X = O, S, NH, CH2) and Phosphorus and Nitrogen Bases'. Journal of Physical Chemistry A, 118 :1527. [Details]
C. Trujillo, G. Sánchez-Sanz, I. Alkorta, J. Elguero (2014) 'A computational study of 3-azonia-, 3-phosphonia- and 3-arsonia- spiro[2.2]pentanes and related three-membered heterocycles'. ChemPhysChem, 15 :3493. [Details]
M. Marín-Luna, G. Sánchez-Sanz, P. O'Sullivan, I. Rozas (2014) 'Guanidine complexes of Platinum: a theoretical study'. Journal of Physical Chemistry A, 118 :5540. [Details]
C. Trujillo, G. Sánchez-Sanz, I. Karpaviciene, U. Jahn, I. Cikotiene, L. Rulisek (2014) 'Divergent Pathways and Competitive Mechanisms of Metathesis Reactions Between 3-Arylprop-2-inyl esters and Aldehydes: An Experimental and Theoretical Study'. Chemistry-A European Journal, 20 :10360. [Details]
G. Sánchez-Sanz, C. Trujillo, I. Alkorta, J. Elguero (2014) 'Intramolecular pnicogen interactions in phosphorus and arsenic analogues of proton sponges'. Physical Chemistry Chemical Physics, 16 :15900. [Details]
I. Rozas, G. Sanchez-Sanz, I. Alkorta, J. Elguero (2013) 'Solvent effects on guanidinium-anion interactions and the problem of guanidinium Y-aromaticity'. Journal of Physical Organic Chemistry, 26 (5):378-385. Available Online [DOI] [Details]
J. E. Del Bene, I. Alkorta, G. Sanchez-Sanz, J. Elguero (2013) 'Phosphorus As a Simultaneous Electron-Pair Acceptor in Intermolecular P...N Pnicogen Bonds and Electron-Pair Donor to Lewis Acids'. The Journal of Physical Chemistry A, 117 (14):3133-3141. Available Online [DOI] [Details]
C. Trujillo, G. Sanchez-Sanz, I. Alkorta, J. Elguero, O. Mo, M. Yanez (2013) 'Resonance assisted hydrogen bonds in open-chain and cyclic structures of malonaldehyde enol: A theoretical study'. Journal of Molecular Structure, 1048 (0):138-151. Available Online [DOI] [Details]
J. E. Del Bene, I. Alkorta, G. Sanchez-Sanz and J. Elguero (2013) 'Ab Initio Study of Cooperative Effects in Complexes X:HBO:Z with X, Z=LiH, HNC, HF, HCN, HCl, ClF, and HBO: Structures, Binding Energies, and Spin-Spin Coupling Constants across Intermolecular Bonds'. Zeitschrift fur Physikalische Chemi, 227 :821. [Details]
D. Sanz, R. M. Claramunt, F. Mathey, I. Alkorta, G. Sanchez-Sanz, J. Elguero (2013) 'Intermolecular spin-spin coupling constants between 31P atoms'. Comptes Rendus Chimie, 16 (10):937-944. Available Online [DOI] [Details]
G. Sanchez-Sanz, I. Alkorta, C. Trujillo, J. Elguero (2013) 'Intramolecular Pnicogen Interactions in PHF-(CH2)n-PHF (n=2-6) Systems'. ChemPhysChem, 14 (8):1656-1665. Available Online [DOI] [Details]
I. Alkorta, I. Sanchez-Sanz, J. Elguero (2013) 'Linear free energy relationships in halogen bonds'. CrystEngComm, 15 :3178-3186. Available Online [DOI] [Details]
G. Sanchez-Sanz, C. Trujillo, I. Rozas, J. Elguero (2013) 'A theoretical study on the aromaticity of benzene and related derivatives incorporating a C-C=C-C fragment'. Tetrahedron, 69 (35):7333-7344. Available Online [DOI] [Details]
C. Trujillo, G. Sanchez-Sanz, I. Alkorta, J. Elguero (2013) 'A theoretical investigation of the mechanism of formation of a simplified analog of the green fluorescent protein (GFP) from a peptide model'. Structural Chemistry, 24 (4):1145-1151. Available Online [DOI] [Details]
G. Sanchez-Sanz, C. Trujillo, M. Solimannejad, I. Alkorta, J. Elguero (2013) 'Orthogonal interactions between nitryl derivatives and electron donors: pnictogen bonds'. Phys. Chem. Chem. Phys, 15 :14310-14318. Available Online [DOI] [Details]
A. J. Salkeld M. F. Reid, J.-P. R Wells, G. Sanchez-Sanz, L. Seijo, Z. Barandiaran (2013) 'Effective Hamiltonian parameters for ab-initio energy-level calculations of SrCl2 :Yb2+ and CsCaBr3:Yb2+'. Journal of Physics: Condensed Matter, 25 (41):415504. Available Online [Details]
F. Blanco, B. Kelly, G. Sanchez-Sanz, C. Trujillo, I. Alkorta, J. Elguero, I. Rozas (2013) 'Non-Covalent Interactions: Complexes of Guanidinium with DNA and RNA Nucleobases'. The Journal of Physical Chemistry B, 117 (39):11608-11616. Available Online [DOI] [Details]
I. Alkorta, G. Sanchez-Sanz, J. Elguero, J. E. Del Bene (2013) 'Exploring (NH2F)2, H2FP:NFH2, and (PH2F)2 Potential Surfaces: Hydrogen Bonds or Pnicogen Bonds?'. The Journal of Physical Chemistry A, 117 (1):183-191. Available Online [DOI] [Details]
M. Solimannejad, M. Gharabaghi, I. Alkorta, G. Sanchez-Sanz (2012) 'A theoretical study of 1:1 and 1:2 complexes of acetylene with nitrosyl hydride'. Structural Chemistry, 23 (3):847-856. Available Online [DOI] [Details]
G. Sanchez-Sanz, C. Trujillo, I. Alkorta, J. Elguero (2012) 'Weak interactions between hypohalous acids and dimethylchalcogens'. Phys. Chem. Chem. Phys, 14 :9880-9889. Available Online [DOI] [Details]
G. Sanchez-Sanz, I. Alkorta, J. Elguero, M. Yanez, O. Mo (2012) 'Strong interactions between copper halides and unsaturated systems: new metallocycles? Or the importance of deformation'. Phys. Chem. Chem. Phys, 14 :11468-11477. Available Online [DOI] [Details]
D. Sanz, R. M. Claramunt, I. Alkorta, G. Sanchez-Sanz, J. Elguero (2012) 'The structure of glibenclamide in the solid state'. Magnetic Resonance in Chemistry, 50 (3):246-255. Available Online [DOI] [Details]
J. E. Del Bene, I. Alkorta, G. Sanchez-Sanz, J. Elguero (2012) 'Interplay of F-H...F Hydrogen Bonds and P...N Pnicogen Bonds'. The Journal of Physical Chemistry A, 116 (36):9205-9213. Available Online [DOI] [Details]
M. Solimannejad, V. Ramezani, C. Trujillo, I. Alkorta, G. Sanchez-Sanz, J. Elguero (2012) 'Competition and Interplay between sigma-Hole and pi-Hole Interactions: A Computational Study of 1:1 and 1:2 Complexes of Nitryl Halides (O2NX) with Ammonia'. The Journal of Physical Chemistry A, 116 (21):5199-5206. Available Online [DOI] [Details]
J. E. Del Bene, I. Alkorta, G. Sanchez-Sanz, J. Elguero (2012) 'Structures, Binding Energies, and Spin-Spin Coupling Constants of Geometric Isomers of Pnicogen Homodimers (PHFX)2, X=F, Cl, CN, CH3, NC'. The Journal of Physical Chemistry A, 116 (11):3056-3060. Available Online [DOI] [Details]
I. Alkorta, G. Sanchez-Sanz, J. Elguero, J. E. Del Bene (2012) 'FCl:PCX Complexes: Old and New Types of Halogen Bonds'. The Journal of Physical Chemistry A, 116 (9):2300-2308. Available Online [DOI] [Details]
P. Lopez-Tarifa, G. Sanchez-Sanz, I. Alkorta, J. Elguero, D. Sanz, A. Perona, R. M. Claramunt (2012) 'The tautomeric structures of 3(5),3'(5')-azopyrazole [(E)-1,2-di(1H-pyrazol-3(5)-yl)diazene)]: The combined use of NMR and electronic spectroscopies with DFT calculations'. Journal of Molecular Structure, 1015 (0):138-146. Available Online [DOI] [Details]
N. Fresno, R. Perez-Fernandez, M. L. Jimeno, I. Alkorta, G. Sanchez-Sanz, J. Elguero, J. E. Del Bene (2012) 'Multinuclear NMR Characterization of Cyanuric Fluoride (2,4,6-Trifluoro-1,3,5-triazine)'. Journal of Heterocyclic Chemistry, 49 (5):1257-1259. Available Online [DOI] [Details]
I. Alkorta, G. Sanchez-Sanz, J. Elguero, J. E. Del Bene (2012) 'Influence of Hydrogen Bonds on the P···P Pnicogen Bond'. Journal of Chemical Theory and Computation, 8 (7):2320-2327. Available Online [DOI] [Details]
C. Trujillo, G. Sanchez-Sanz, I. Alkorta, J. Elguero (2012) 'Thermodynamic and hydrogen-bond basicity of phosphine oxides: Effect of the ring strain'. Computational and Theoretical Chemistry, 994 (0):81-90. Available Online [DOI] [Details]
I. Alkorta, L. M. Azofra, G. Sanchez-Sanz, J. Elguero (2012) 'A theoretical study of six-membered rings containing the -N=S-S=N- motif'. Structural Chemistry, 23 (4):1245-1252. Available Online [DOI] [Details]
B. Kelly, G. Sanchez-Sanz, F. Blanco, I. Rozas (2012) 'Cation-pi vs. pi-pi interactions: Complexes of 2-pyridinylguanidinium derivatives and aromatic systems'. Computational and Theoretical Chemistry, 998 (0):64-73. Available Online [DOI] [Details]
G. Sanchez-Sanz, C. Trujillo, I. Alkorta, J. Elguero (2012) 'Electron density shift description of non-bonding intramolecular interactions'. Computational and Theoretical Chemistry, 991 (0):124-133. Available Online [DOI] [Details]
J. E. Del Bene, I. Alkorta, G. Sanchez-Sanz, J. Elguero (2012) 'Variations in the structures and binding energies of binary complexes with HBO'. Chemical Physics Letters, 538 (0):5-9. Available Online [DOI] [Details]
J. E. Del Bene, G. Sanchez-Sanz, I. Alkorta, J. Elguero (2012) 'Homo- and heterochiral dimers (PHFX)2, X=Cl, CN, CH3, NC: To what extent do they differ?'. Chemical Physics Letters, 538 (0):14-18. Available Online [DOI] [Details]
G. Sanchez-Sanz, C. Trujillo, I. Alkorta, J. Elguero (2012) 'Intermolecular Weak Interactions in HTeXH Dimers (X=O, S, Se, Te): Hydrogen Bonds, Chalcogen-Chalcogen Contacts and Chiral Discrimination'. ChemPhysChem, 13 (2):496-503. Available Online [DOI] [Details]
I. Alkorta, G. Sanchez-Sanz, C. Trujillo, J. Elguero, R. M. Claramunt (2012) 'A theoretical study of the parent NH-benzazole (benzimidazoles, indazoles and benzotriazoles): geometries, energies, acidity and basicity, NMR properties and molecular electrostatic potentials'. Arkivoc, 2 :85-106. Available Online [DOI] [Details]
G. Sanchez-Sanz, I. Alkorta, C. Trujillo, J. Elguero (2012) 'A theoretical NMR study of the structure of benzynes and some of their carbocyclic and heterocyclic analogs'. Tetrahedron, 68 (32):6548-6556. Available Online [DOI] [Details]
I. Alkorta, G. Sanchez-Sanz, C. Trujillo, L. M. Azofra, J. Elguero (2012) 'A theoretical reappraisal of the cyclol hypothesis'. Structural Chemistry, 23 (3):873-877. Available Online [DOI] [Details]
G. Sanchez-Sanz, S. Diaz-Tendero, F. Martin, M. Alcami, keywords= (2011) 'Theoretical study of the stability of small triply charged carbon clusters Cn3+ (n=3-12)'. International Journal of Mass Spectrometry, 299 (1):20-26. Available Online [DOI] [Details]
G. Sanchez-Sanz, I. Alkorta, J. Elguero (2011) 'A theoretical study of the conformation of 2,2'-bifuran, 2,2'-bithiophene, 2,2'-bitellurophene and mixed derivatives: Chalcogen-chalcogen interactions or dipole-dipole effects?'. Computational and Theoretical Chemistry, 974 (1-3):37-42. Available Online [DOI] [Details]
G. Sanchez-Sanz, I. Alkorta, J. Elguero (2011) 'Isomerization barriers in bis(4H-thiopyran) and in bithioxanthenes'. Tetrahedron, 67 (38):7316-7320. Available Online [DOI] [Details]
G. Sanchez-Sanz, I. Alkorta, J. Elguero (2011) 'Theoretical study of the HXYH dimers (X,Y=O, S, Se). Hydrogen bonding and chalcogen-chalcogen interactions'. Molecular Physics, 109 (21):2543-2552. Available Online [DOI] [Details]
J. E. Del Bene, I. Alkorta, G. Sanchez-Sanz, J. Elguero (2011) 'Structures, Energies, Bonding, and NMR Properties of Pnicogen Complexes H2XP:NXH2 (X=H, CH3, NH2, OH, F, Cl)'. The Journal of Physical Chemistry A, 115 (46):13724-13731. Available Online [DOI] [Details]
C .Trujillo, G. Sanchez-Sanz, _I. Alkorta, J. Elguero (2011) 'Simultaneous Interactions of Anions and Cations with Cyclohexane and Adamantane: Aliphatic Cyclic Hydrocarbons as Charge Insulators'. The Journal of Physical Chemistry A, 115 (45):13124-13132. Available Online [DOI] [Details]
J. E. Del Bene, I. Alkorta, G. Sanchez-Sanz, J. Elguero (2011) '31P-31P spin-spin coupling constants for pnicogen homodimers'. Chemical Physics Letters, 512 (4-6):184-187. Available Online [DOI] [Details]
G. Sanchez-Sanz, Z. Barandiaran, L. Seijo (2010) 'Energy level shifts in two-step spin-orbit coupling ab initio calculations'. Chemical Physics Letters, 498 (1-3):226-228. Available Online [DOI] [Details]
G. Sanchez-Sanz, L. Seijo, Z. Barandiaran (2010) 'Energy Shift of the 4f136s1 Excited States of Yb2+ from Gas Phase to the CsCaBr3 Solid'. Spectroscopy Letters, 43 (5):393-399. Available Online [DOI] [Details]
G. Sanchez-Sanz, L. Seijo, Z. Barandiaran (2010) 'Yb2+-doped SrCl2: Electronic structure of impurity states and impurity-trapped excitons'. The Journal of Chemical Physics, 133 (11):114509. Available Online [DOI] [Details]
G. Sanchez-Sanz, L. Seijo, Z. Barandiaran (2010) 'Electronic spectra of Yb2+-doped SrCl2'. The Journal of Chemical Physics, 133 (11):114506. Available Online [DOI] [Details]
G. Sanchez-Sanz, L. Seijo, Z. Barandiaran (2009) 'Spin-forbidden and spin-enabled 4f14-4f135d1 transitions of Yb2+-doped CsCaBr3'. The Journal of Chemical Physics, 131 (2). Available Online [DOI] [Details]
G. Sanchez-Sanz, L. Seijo, Z. Barandiaran (2009) 'Energy Gaps in the 4f135d1 Manifold and Multiple Spontaneous Emissions in Yb2+-Doped CsCaBr3'. The Journal of Physical Chemistry A, 113 (45):12591-12598. Available Online [DOI] [Details]
H. Zettergren, G. Sanchez, S. Diaz-Tendero, M. Alcami, F. Martin (2007) 'Theoretical study of the stability of multiply charged C70 fullerenes'. The Journal of Chemical Physics, 127 (10):104308. Available Online [DOI] [Details]
M. Alcami, G. Sanchez, S. Diaz-Tendero, Y. Wang, F. Martin (2007) 'Structural Patterns in Fullerenes Showing Adjacent Pentagons: C20 to C72'. Journal of Nanoscience and Nanotechnology, 7 (4-1):1329-1338. Available Online [DOI] [Details]
S. Diaz-Tendero, G. Sanchez, M. Alcami, F. Martin (2006) 'Ionization potentials and dissociation energies of neutral, singly and doubly charged Cn fullerenes from n=20 to 70'. International Journal of Mass Spectrometry, 252 (2):133-141. Available Online [DOI] [Details]
S. Diaz-Tendero, G. Sanchez, M. Alcami, F. Martin, P.-A. Hervieux, M. Chabot, G. Martinet, P. Desesquelles, F. Mezdari, K. Wohrer-Beroff, S. Della Negra, H. Hamrita, A. LePadellec, L. Montagnon (2006) 'Fragmentation of small neutral carbon clusters'. International Journal of Mass Spectrometry, 252 (2):126-132. Available Online [DOI] [Details]
S. Diaz-Tendero, G. Sanchez, P.-A. Hervieux, M. Alcami, and F. Martin (2006) 'Ionization potentials, dissociation energies and statistical fragmentation of neutral and positively charged small carbon clusters'. Brazilian Journal of Physics, 36 :529-533. Available Online [DOI] [Details]
G. Sanchez, S. Diaz-Tendero, M. Alcami and F. Martin (2005) 'Size dependence of ionization potentials and dissociation energies for neutral and singly-charged Cn fullerenes (n=40-70)'. Chemical Physics Letters, 416 (1-3):14-17. Available Online [DOI] [Details]
                                                                                             

Research

Research Interests

- Computational biophysics of biomolecular systems.

- Non-covalent interactions: hydrogen bonding, halogen bonding, pnictogen interactions, chalcogen interactions.

- Aromaticy and NMR calculations.
  
-Modeling of organic reactions

     

Collaborators

 

External Collaborators


 Prof. Ibon Alkorta, Instituto de Química Médica (IQM-CSIC) Madrid, Spain 

 Dr. Isabel Rozas, Trinity College Dublin (TCD), Dublin, Ireland 

 Dr. Cristina Trujillo, Dr. Isabel Rozas, Trinity College Dublin (TCD), Dublin, Ireland