{"id":"https://openalex.org/W2072023906","doi":"https://doi.org/10.1016/j.saa.2006.11.055","title":"Fourier transform infrared spectrum, vibrational analysis and structural determinations of the trans-bis(glycine)nickel(II) complex by means of the RHF/6-311G and DFT:B3LYP/6-31G and 6-311G methods","display_name":"Fourier transform infrared spectrum, vibrational analysis and structural determinations of the trans-bis(glycine)nickel(II) complex by means of the RHF/6-311G and DFT:B3LYP/6-31G and 6-311G methods","publication_year":2007,"publication_date":"2007-04-11","ids":{"openalex":"https://openalex.org/W2072023906","doi":"https://doi.org/10.1016/j.saa.2006.11.055","mag":"2072023906","pmid":"https://pubmed.ncbi.nlm.nih.gov/17466576"},"language":"en","primary_location":{"id":"doi:10.1016/j.saa.2006.11.055","doi":"https://doi.org/10.1016/j.saa.2006.11.055","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.saa.2006.11.055","pdf_url":null,"source":{"id":"https://openalex.org/S96873385","display_name":"Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy","issn_l":"1386-1425","issn":["1386-1425","1873-3557"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5111713004","display_name":"Joanna Maria Ramos","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I161127581","display_name":"Universidade Federal Fluminense","ror":"https://ror.org/02rjhbb08","country_code":"BR","type":"education","lineage":["https://openalex.org/I161127581"]}],"countries":["BR"],"is_corresponding":true,"raw_author_name":"Joanna Maria Ramos","raw_affiliation_strings":["Instituto de Qu\u00edmica, Departamento de Qu\u00edmica Inorg\u00e2nica-UFF, Morro de Valonguinho s/n, Niter\u00f3i, RJ, Brazil. joannamaria@uol.com.br","Instituto de Qu\u00edmica, Departamento de Qu\u00edmica Inorg\u00e2nica-UFF, Morro de Valonguinho s/n, Niter\u00f3i 24210-150, RJ, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Instituto de Qu\u00edmica, Departamento de Qu\u00edmica Inorg\u00e2nica-UFF, Morro de Valonguinho s/n, Niter\u00f3i, RJ, Brazil. joannamaria@uol.com.br","institution_ids":["https://openalex.org/I161127581"]},{"raw_affiliation_string":"Instituto de Qu\u00edmica, Departamento de Qu\u00edmica Inorg\u00e2nica-UFF, Morro de Valonguinho s/n, Niter\u00f3i 24210-150, RJ, Brazil","institution_ids":["https://openalex.org/I161127581"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055705355","display_name":"O. Versiane","orcid":"https://orcid.org/0000-0002-1426-4176","observed_orcids":["https://orcid.org/0000-0002-1426-4176"]},"institutions":[{"id":"https://openalex.org/I2699952","display_name":"Pontif\u00edcia Universidade Cat\u00f3lica do Rio de Janeiro","ror":"https://ror.org/01dg47b60","country_code":"BR","type":"education","lineage":["https://openalex.org/I2699952"]},{"id":"https://openalex.org/I270441400","display_name":"Instituto Federal do Rio de Janeiro","ror":"https://ror.org/007qd1t98","country_code":"BR","type":"government","lineage":["https://openalex.org/I270441400"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Otavio Versiane","raw_affiliation_strings":["Centro Federal de Educa\u00e7\u00e3o Tecnol\u00f3gica de Qu\u00edmica de Nil\u00f3polis (CEFETEQ), Rio de Janeiro, RJ, Brazil","Departamento de Qu\u00edmica, PUC-Rio, G\u00e1vea, Rio de Janeiro, RJ, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro Federal de Educa\u00e7\u00e3o Tecnol\u00f3gica de Qu\u00edmica de Nil\u00f3polis (CEFETEQ), Rio de Janeiro, RJ, Brazil","institution_ids":["https://openalex.org/I270441400"]},{"raw_affiliation_string":"Departamento de Qu\u00edmica, PUC-Rio, G\u00e1vea, Rio de Janeiro, RJ, Brazil","institution_ids":["https://openalex.org/I2699952"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016138072","display_name":"Judith Felcman","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I2699952","display_name":"Pontif\u00edcia Universidade Cat\u00f3lica do Rio de Janeiro","ror":"https://ror.org/01dg47b60","country_code":"BR","type":"education","lineage":["https://openalex.org/I2699952"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Judith Felcman","raw_affiliation_strings":["Departamento de Qu\u00edmica, PUC-Rio, G\u00e1vea, Rio de Janeiro, RJ, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica, PUC-Rio, G\u00e1vea, Rio de Janeiro, RJ, Brazil","institution_ids":["https://openalex.org/I2699952"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5074680479","display_name":"Claudio A. T\u00e9llez Soto","orcid":"https://orcid.org/0000-0001-7062-1863","observed_orcids":["https://orcid.org/0000-0001-7062-1863"]},"institutions":[{"id":"https://openalex.org/I161127581","display_name":"Universidade Federal Fluminense","ror":"https://ror.org/02rjhbb08","country_code":"BR","type":"education","lineage":["https://openalex.org/I161127581"]}],"countries":["BR"],"is_corresponding":true,"raw_author_name":"Claudio A. T\u00e9llez Soto","raw_affiliation_strings":["Instituto de Qu\u00edmica, Departamento de Qu\u00edmica Inorg\u00e2nica-UFF, Morro de Valonguinho s/n, Niter\u00f3i 24210-150, RJ, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Instituto de Qu\u00edmica, Departamento de Qu\u00edmica Inorg\u00e2nica-UFF, Morro de Valonguinho s/n, Niter\u00f3i 24210-150, RJ, Brazil","institution_ids":["https://openalex.org/I161127581"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5074680479","https://openalex.org/A5111713004"],"corresponding_institution_ids":["https://openalex.org/I161127581"],"apc_list":{"value":3750,"currency":"USD","value_usd":3750},"apc_paid":null,"fwci":0.3424,"has_fulltext":false,"cited_by_count":45,"citation_normalized_percentile":{"value":0.56136353,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"68","issue":"5","first_page":"1370","last_page":"1378"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":0.30000001192092896,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":0.30000001192092896,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11324","display_name":"Spectroscopy Techniques in Biomedical and Chemical Research","score":0.2296999990940094,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.21469999849796295,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/nickel-ii-complexes","display_name":"nickel(II) complexes","score":0.9010000228881836},{"id":"https://openalex.org/keywords/glycine-ligand","display_name":"glycine ligand","score":0.8889999985694885},{"id":"https://openalex.org/keywords/vibrational-assignment","display_name":"vibrational assignment","score":0.8899999856948853},{"id":"https://openalex.org/keywords/vibrational-modes","display_name":"vibrational modes","score":0.609000027179718},{"id":"https://openalex.org/keywords/molecular-geometry","display_name":"molecular geometry","score":0.5059999823570251},{"id":"https://openalex.org/keywords/normal-coordinate-analysis","display_name":"normal coordinate analysis","score":0.8960000276565552},{"id":"https://openalex.org/keywords/dft-b3lyp-calculations","display_name":"DFT/B3LYP calculations","score":0.6779999732971191}],"concepts":[{"id":"https://openalex.org/C158355884","wikidata":"https://www.wikidata.org/wiki/Q11388","display_name":"Infrared","level":2,"score":0.6412062644958496},{"id":"https://openalex.org/C504270822","wikidata":"https://www.wikidata.org/wiki/Q744","display_name":"Nickel","level":2,"score":0.5868616104125977},{"id":"https://openalex.org/C153642686","wikidata":"https://www.wikidata.org/wiki/Q70906","display_name":"Infrared spectroscopy","level":2,"score":0.5799585580825806},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.5676920413970947},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.542912483215332},{"id":"https://openalex.org/C102519508","wikidata":"https://www.wikidata.org/wiki/Q6520159","display_name":"Fourier transform","level":2,"score":0.5118883848190308},{"id":"https://openalex.org/C160892712","wikidata":"https://www.wikidata.org/wiki/Q901559","display_name":"Fourier transform infrared spectroscopy","level":2,"score":0.49295926094055176},{"id":"https://openalex.org/C2777756961","wikidata":"https://www.wikidata.org/wiki/Q620730","display_name":"Glycine","level":3,"score":0.43762046098709106},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.3708455562591553},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.34508824348449707},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.32843858003616333},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3232167363166809},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3031025230884552},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.12320747971534729},{"id":"https://openalex.org/C515207424","wikidata":"https://www.wikidata.org/wiki/Q8066","display_name":"Amino acid","level":2,"score":0.08373028039932251},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.08194312453269958},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D005998","descriptor_name":"Glycine","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":true},{"descriptor_ui":"D005998","descriptor_name":"Glycine","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D009942","descriptor_name":"Organometallic Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014732","descriptor_name":"Vibration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017550","descriptor_name":"Spectroscopy, Fourier Transform Infrared","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1016/j.saa.2006.11.055","doi":"https://doi.org/10.1016/j.saa.2006.11.055","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.saa.2006.11.055","pdf_url":null,"source":{"id":"https://openalex.org/S96873385","display_name":"Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy","issn_l":"1386-1425","issn":["1386-1425","1873-3557"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","raw_type":"journal-article"},{"id":"pmid:17466576","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/17466576","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320322025","display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","ror":"https://ror.org/03swz6y49"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":21,"referenced_works":["https://openalex.org/W160879964","https://openalex.org/W1501283731","https://openalex.org/W1550061415","https://openalex.org/W1897085524","https://openalex.org/W1981388977","https://openalex.org/W1982356449","https://openalex.org/W2012042639","https://openalex.org/W2012959357","https://openalex.org/W2018012595","https://openalex.org/W2030186301","https://openalex.org/W2048383785","https://openalex.org/W2050174205","https://openalex.org/W2055026238","https://openalex.org/W2110988939","https://openalex.org/W2143911037","https://openalex.org/W2317598187","https://openalex.org/W2319399474","https://openalex.org/W2331727781","https://openalex.org/W3022503991","https://openalex.org/W3162023519","https://openalex.org/W4242166356"],"related_works":["https://openalex.org/W2068438199","https://openalex.org/W2182997584","https://openalex.org/W2043148391","https://openalex.org/W1985482387","https://openalex.org/W1982955706","https://openalex.org/W2148122653","https://openalex.org/W4385796597","https://openalex.org/W2001957255","https://openalex.org/W2020967261","https://openalex.org/W7095893183"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":7},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":6},{"year":2012,"cited_by_count":5}],"updated_date":"2026-11-06T12:05:46.655746","created_date":"2016-06-24T00:00:00"}