{"id":{"repo_id":"rice","oai_identifier":"oai:repository.rice.edu:1911/17050"},"canonical_url":"https://search.dev.ndltd.org/etd/rice/oai:repository.rice.edu:1911/17050","repository":{"repo_id":"rice","name":"Rice University","base_url":"https://repository.rice.edu/server/oai/request"},"display":{"title":"Color center laser kinetic spectroscopy: Evidence for quasilinearity of HCCN","abstract":"The C-H stretching fundamental of the free radical HCCN has been investigated under high resolution using infrared kinetic spectroscopy. This transient molecule was produced by the flash photolysis of dibromoacetonitrile (Br$\\sb2$HCCN) at 193 nm and its transient infrared absorption spectrum probed using a color center laser. Spectra of the molecule were collected between 3182 and 3274 cm$\\sp{-1}$. The rotational analysis of the $\\nu\\sb1$ fundamental places its origin at 3246.657 cm$\\sp{-1}$. Four hot bands associated with the bending vibrations have been observed; the vibrational and rotational assignment of three of these bands $\\nu\\sb1 + \\nu\\sb5 - \\nu\\sb5$, $\\nu\\sb1 + \\nu\\sb4 - \\nu\\sb4$, and $\\nu\\sb1 + 2\\nu\\sb5\\sp{\\pm 2} - 2\\nu\\sb5\\sp{\\pm 2}$ is definite. The $\\nu\\sb5$ energy was obtained by measuring the intensity of a line of the $\\nu\\sb1 + \\nu\\sb5 - \\nu\\sb5$ band relative to one of the fundamental and calculating the energy assuming a room temperature Boltzmann distribution. A comparison of this energy with that of quasilinear fulminic acid, HCNO, and with theoretical calculations suggests a similar floppy HCX bending potential.","abstract_html":"The C-H stretching fundamental of the free radical HCCN has been investigated under high resolution using infrared kinetic spectroscopy. This transient molecule was produced by the flash photolysis of dibromoacetonitrile (Br$\\sb2$HCCN) at 193 nm and its transient infrared absorption spectrum probed using a color center laser. Spectra of the molecule were collected between 3182 and 3274 cm$\\sp{-1}$. The rotational analysis of the $\\nu\\sb1$ fundamental places its origin at 3246.657 cm$\\sp{-1}$. Four hot bands associated with the bending vibrations have been observed; the vibrational and rotational assignment of three of these bands $\\nu\\sb1 + \\nu\\sb5 - \\nu\\sb5$, $\\nu\\sb1 + \\nu\\sb4 - \\nu\\sb4$, and $\\nu\\sb1 + 2\\nu\\sb5\\sp{\\pm 2} - 2\\nu\\sb5\\sp{\\pm 2}$ is definite. The $\\nu\\sb5$ energy was obtained by measuring the intensity of a line of the $\\nu\\sb1 + \\nu\\sb5 - \\nu\\sb5$ band relative to one of the fundamental and calculating the energy assuming a room temperature Boltzmann distribution. A comparison of this energy with that of quasilinear fulminic acid, HCNO, and with theoretical calculations suggests a similar floppy HCX bending potential.","abstract_has_math":true,"creators":["Farhat, Shahla Khan"],"institution":"Rice University","degree_name":"Master of Arts","degree_level":"Masters","degree_discipline":"Natural Sciences","degree_department":null,"school":null,"contributors":[],"advisors":["Curl, Robert F., Jr."],"committee_chairs":[],"committee_members":[],"year":1994,"date_issued":"1994","date_published":"1994","updated_at":"2026-07-24T04:10:15Z","subjects":["Physical chemistry"],"languages":["eng"],"rights":["Copyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder."],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"https://hdl.handle.net/1911/17050","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.advisor","label":"Advisor","values":["Curl, Robert F., Jr."]},{"key":"dc:creator","label":"Author","values":["Farhat, Shahla Khan"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.accessioned","label":"Dc Date Accessioned","values":["2009-06-04T08:48:49Z"]},{"key":"dc:date.available","label":"Dc Date Available","values":["2009-06-04T08:48:49Z"]},{"key":"dc:date.issued","label":"Date","values":["1994"]},{"key":"dc:type","label":"Dc Type","values":["Thesis"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Natural Sciences"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Masters"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Master of Arts"]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["Rice University"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Physical chemistry"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language.iso","label":"Language (ISO)","values":["eng"]},{"key":"dc:rights","label":"Dc Rights","values":["Copyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder."]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier.uri","label":"Identifier URI","values":["https://hdl.handle.net/1911/17050"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description.abstract","label":"Abstract","values":["The C-H stretching fundamental of the free radical HCCN has been investigated under high resolution using infrared kinetic spectroscopy. This transient molecule was produced by the flash photolysis of dibromoacetonitrile (Br$\\sb2$HCCN) at 193 nm and its transient infrared absorption spectrum probed using a color center laser. Spectra of the molecule were collected between 3182 and 3274 cm$\\sp{-1}$. The rotational analysis of the $\\nu\\sb1$ fundamental places its origin at 3246.657 cm$\\sp{-1}$. Four hot bands associated with the bending vibrations have been observed; the vibrational and rotational assignment of three of these bands $\\nu\\sb1 + \\nu\\sb5 - \\nu\\sb5$, $\\nu\\sb1 + \\nu\\sb4 - \\nu\\sb4$, and $\\nu\\sb1 + 2\\nu\\sb5\\sp{\\pm 2} - 2\\nu\\sb5\\sp{\\pm 2}$ is definite. The $\\nu\\sb5$ energy was obtained by measuring the intensity of a line of the $\\nu\\sb1 + \\nu\\sb5 - \\nu\\sb5$ band relative to one of the fundamental and calculating the energy assuming a room temperature Boltzmann distribution. A comparison of this energy with that of quasilinear fulminic acid, HCNO, and with theoretical calculations suggests a similar floppy HCX bending potential."]},{"key":"dc:format.mimetype","label":"Dc Format Mimetype","values":["application/pdf"]},{"key":"dc:title","label":"Title","values":["Color center laser kinetic spectroscopy: Evidence for quasilinearity of HCCN"]}]}],"canonical_facts":{"dc:contributor.advisor":["Curl, Robert F., Jr."],"dc:creator":["Farhat, Shahla Khan"],"dc:date.accessioned":["2009-06-04T08:48:49Z"],"dc:date.available":["2009-06-04T08:48:49Z"],"dc:date.issued":["1994"],"dc:description.abstract":["The C-H stretching fundamental of the free radical HCCN has been investigated under high resolution using infrared kinetic spectroscopy. This transient molecule was produced by the flash photolysis of dibromoacetonitrile (Br$\\sb2$HCCN) at 193 nm and its transient infrared absorption spectrum probed using a color center laser. Spectra of the molecule were collected between 3182 and 3274 cm$\\sp{-1}$. The rotational analysis of the $\\nu\\sb1$ fundamental places its origin at 3246.657 cm$\\sp{-1}$. Four hot bands associated with the bending vibrations have been observed; the vibrational and rotational assignment of three of these bands $\\nu\\sb1 + \\nu\\sb5 - \\nu\\sb5$, $\\nu\\sb1 + \\nu\\sb4 - \\nu\\sb4$, and $\\nu\\sb1 + 2\\nu\\sb5\\sp{\\pm 2} - 2\\nu\\sb5\\sp{\\pm 2}$ is definite. The $\\nu\\sb5$ energy was obtained by measuring the intensity of a line of the $\\nu\\sb1 + \\nu\\sb5 - \\nu\\sb5$ band relative to one of the fundamental and calculating the energy assuming a room temperature Boltzmann distribution. A comparison of this energy with that of quasilinear fulminic acid, HCNO, and with theoretical calculations suggests a similar floppy HCX bending potential."],"dc:format.mimetype":["application/pdf"],"dc:identifier.uri":["https://hdl.handle.net/1911/17050"],"dc:language.iso":["eng"],"dc:rights":["Copyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder."],"dc:subject":["Physical chemistry"],"dc:title":["Color center laser kinetic spectroscopy: Evidence for quasilinearity of HCCN"],"dc:type":["Thesis"],"thesis:degree_discipline":["Natural Sciences"],"thesis:degree_level":["Masters"],"thesis:degree_name":["Master of Arts"],"thesis:institution_name":["Rice University"]},"updated_at":"2026-07-24T04:10:15Z"}